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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16FN3O2S
Molecular Weight 345.391
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-Fluorophenyl)-N-methyl-1-(4-pyridinylsulfonyl)-1H-pyrrole-3-methanamine

SMILES

CNCC1=CN(C(=C1)C2=CC=CC=C2F)S(=O)(=O)C3=CC=NC=C3

InChI

InChIKey=KYTKDUSOBVRYQN-UHFFFAOYSA-N
InChI=1S/C17H16FN3O2S/c1-19-11-13-10-17(15-4-2-3-5-16(15)18)21(12-13)24(22,23)14-6-8-20-9-7-14/h2-10,12,19H,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C17H16FN3O2S
Molecular Weight 345.391
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 Wed Apr 02 19:33:48 GMT 2025
Edited
by admin
on Wed Apr 02 19:33:48 GMT 2025
Record UNII
XY98955GMX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(5-(2-fluorophenyl)-1-(pyridin-4-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine
Preferred Name English
5-(2-Fluorophenyl)-N-methyl-1-(4-pyridinylsulfonyl)-1H-pyrrole-3-methanamine
Systematic Name English
1H-Pyrrole-3-methanamine, 5-(2-fluorophenyl)-N-methyl-1-(4-pyridinylsulfonyl)-
Systematic Name English
Code System Code Type Description
PUBCHEM
71296118
Created by admin on Wed Apr 02 19:33:48 GMT 2025 , Edited by admin on Wed Apr 02 19:33:48 GMT 2025
PRIMARY
CAS
2771609-43-7
Created by admin on Wed Apr 02 19:33:48 GMT 2025 , Edited by admin on Wed Apr 02 19:33:48 GMT 2025
PRIMARY
FDA UNII
XY98955GMX
Created by admin on Wed Apr 02 19:33:48 GMT 2025 , Edited by admin on Wed Apr 02 19:33:48 GMT 2025
PRIMARY