N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide

C12H7FN4O2S2 — CID 171664648

IUPACN-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3nccs3)cc(F)cc12
InChIInChI=1S/C12H7FN4O2S2/c13-8-3-9-7(5-14)6-16-11(9)10(4-8)17-21(18,19)12-15-1-2-20-12/h1-4,6,16-17H
InChIKeyPFSDPPXAENYQAX-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.44
Rot. Bonds3

About N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide

N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide (PubChem CID 171664648) has the molecular formula C12H7FN4O2S2 and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
PubChem CID171664648
Molecular FormulaC12H7FN4O2S2
Molecular Weight322.35 g/mol
Exact Mass322.00
IUPAC NameN-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3nccs3)cc(F)cc12
InChIInChI=1S/C12H7FN4O2S2/c13-8-3-9-7(5-14)6-16-11(9)10(4-8)17-21(18,19)12-15-1-2-20-12/h1-4,6,16-17H
InChIKeyPFSDPPXAENYQAX-UHFFFAOYSA-N
XLogP2.44
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyano-5-fluoro-6-methyl-1-thiazol-5-yl-indol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-methyl-ethyl]pyridine-3-sulfonamide
CID 66733643
N-[3-(1-Benzothiazol-6-yl-1-ethyl-propyl)-1H-indol-7-yl]-methanesulfonamide
CID 58731243
6-Fluorocamalexin
CID 44436458
5-Fluorocamalexin
CID 11390334
N-(3-chloro-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 170949454
4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
CID 170949579
N-[4-methyl-3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949689
N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 170949693
N-[3-(trifluoromethyl)-1H-indol-7-yl]-1,3-thiazole-5-sulfonamide
CID 170949699
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171055438
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055440
N-(3-chloro-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171055506

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide (CID 171664648) is N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3nccs3)cc(F)cc12.
What is the InChIKey of N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The InChIKey is PFSDPPXAENYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2S2/c13-8-3-9-7(5-14)6-16-11(9)10(4-8)17-21(18,19)12-15-1-2-20-12/h1-4,6,16-17H.
What are the key properties of N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide has a molecular weight of 322.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 171664648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).