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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14BrN3O3S
Molecular Weight 372.238
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-BROMO-3-(1-PYRROLIDINYLSULFONYL)-1H-INDOLE-2-CARBOXAMIDE

SMILES

NC(=O)C1=C(C2=CC(Br)=CC=C2N1)S(=O)(=O)N3CCCC3

InChI

InChIKey=FEPUPYVRZUWCQB-UHFFFAOYSA-N
InChI=1S/C13H14BrN3O3S/c14-8-3-4-10-9(7-8)12(11(16-10)13(15)18)21(19,20)17-5-1-2-6-17/h3-4,7,16H,1-2,5-6H2,(H2,15,18)

HIDE SMILES / InChI

Molecular Formula C13H14BrN3O3S
Molecular Weight 372.238
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 15:43:52 GMT 2023
Edited
by admin
on Sat Dec 16 15:43:52 GMT 2023
Record UNII
2REL8H3PKT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-BROMO-3-(1-PYRROLIDINYLSULFONYL)-1H-INDOLE-2-CARBOXAMIDE
Systematic Name English
5-BROMANYL-3-PYRROLIDIN-1-YLSULFONYL-1H-INDOLE-2-CARBOXAMIDE
Systematic Name English
1H-INDOLE-2-CARBOXAMIDE, 5-BROMO-3-(1-PYRROLIDINYLSULFONYL)-
Systematic Name English
Code System Code Type Description
CAS
918494-66-3
Created by admin on Sat Dec 16 15:43:52 GMT 2023 , Edited by admin on Sat Dec 16 15:43:52 GMT 2023
PRIMARY
PUBCHEM
11984575
Created by admin on Sat Dec 16 15:43:52 GMT 2023 , Edited by admin on Sat Dec 16 15:43:52 GMT 2023
PRIMARY
FDA UNII
2REL8H3PKT
Created by admin on Sat Dec 16 15:43:52 GMT 2023 , Edited by admin on Sat Dec 16 15:43:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID60475210
Created by admin on Sat Dec 16 15:43:52 GMT 2023 , Edited by admin on Sat Dec 16 15:43:52 GMT 2023
PRIMARY