U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14F15NO3S
Molecular Weight 549.296
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-BUTYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-N-(2-HYDROXYETHYL)-1-HEPTANESULFONAMIDE

SMILES

CCCCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChIKey=WIUXGCKDKOYUAL-UHFFFAOYSA-N
InChI=1S/C13H14F15NO3S/c1-2-3-4-29(5-6-30)33(31,32)13(27,28)11(22,23)9(18,19)7(14,15)8(16,17)10(20,21)12(24,25)26/h30H,2-6H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H14F15NO3S
Molecular Weight 549.296
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:09:16 GMT 2023
Edited
by admin
on Sat Dec 16 12:09:16 GMT 2023
Record UNII
6FKC4L1UQR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-BUTYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-N-(2-HYDROXYETHYL)-1-HEPTANESULFONAMIDE
Systematic Name English
1-HEPTANESULFONAMIDE, N-BUTYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-N-(2-HYDROXYETHYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID6071407
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY
PUBCHEM
110017
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY
ECHA (EC/EINECS)
269-690-0
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY
FDA UNII
6FKC4L1UQR
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY
CAS
68310-02-1
Created by admin on Sat Dec 16 12:09:16 GMT 2023 , Edited by admin on Sat Dec 16 12:09:16 GMT 2023
PRIMARY