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

C12H7FN4O2S2 — CID 171055469

IUPACN-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnc(F)s3)cccc12
InChIInChI=1S/C12H7FN4O2S2/c13-12-16-6-10(20-12)21(18,19)17-9-3-1-2-8-7(4-14)5-15-11(8)9/h1-3,5-6,15,17H
InChIKeyWPIXRIOMPQYFPD-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.44
Rot. Bonds3

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

N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide (PubChem CID 171055469) has the molecular formula C12H7FN4O2S2 and a molecular weight of 322.35 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
PubChem CID171055469
Molecular FormulaC12H7FN4O2S2
Molecular Weight322.35 g/mol
Exact Mass322.00
IUPAC NameN-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3cnc(F)s3)cccc12
InChIInChI=1S/C12H7FN4O2S2/c13-12-16-6-10(20-12)21(18,19)17-9-3-1-2-8-7(4-14)5-15-11(8)9/h1-3,5-6,15,17H
InChIKeyWPIXRIOMPQYFPD-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

N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
CID 171664629
N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 171055447
N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide
CID 170949418
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide
CID 170949429
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide
CID 170949666
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
7-[[2-(fluoromethyl)-1,3-thiazol-5-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 170949823
5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide
CID 172572471
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide
CID 177318952
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
CID 172572602
7-[(2-oxo-1,3-dihydroimidazol-4-yl)sulfanylamino]-1H-indole-3-carbonitrile
CID 177228471

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide (CID 171055469) is N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3cnc(F)s3)cccc12.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide?
The InChIKey is WPIXRIOMPQYFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O2S2/c13-12-16-6-10(20-12)21(18,19)17-9-3-1-2-8-7(4-14)5-15-11(8)9/h1-3,5-6,15,17H.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-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-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 171055469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).