N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide

C13H8F2N4O2S2 — CID 171664635

IUPACN-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3csc(C(F)F)n3)cccc12
InChIInChI=1S/C13H8F2N4O2S2/c14-12(15)13-18-10(6-22-13)23(20,21)19-9-3-1-2-8-7(4-16)5-17-11(8)9/h1-3,5-6,12,17,19H
InChIKeySSHGQIVIIBVKME-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.23
Rot. Bonds4

About N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide

N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide (PubChem CID 171664635) has the molecular formula C13H8F2N4O2S2 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide
PubChem CID171664635
Molecular FormulaC13H8F2N4O2S2
Molecular Weight354.36 g/mol
Exact Mass354.01
IUPAC NameN-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3csc(C(F)F)n3)cccc12
InChIInChI=1S/C13H8F2N4O2S2/c14-12(15)13-18-10(6-22-13)23(20,21)19-9-3-1-2-8-7(4-16)5-17-11(8)9/h1-3,5-6,12,17,19H
InChIKeySSHGQIVIIBVKME-UHFFFAOYSA-N
XLogP3.23
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-1H-indol-7-yl)-5-methylpyridine-3-sulfonamide
CID 11312975
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-cyano-1H-indol-7-yl)pyridine-3-sulfonamide
CID 44306638
N-[3-(6-cyano-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-methylphenyl]-2,5-difluorobenzenesulfonamide
CID 177641815
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-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide (CID 171664635) is N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3csc(C(F)F)n3)cccc12.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide?
The InChIKey is SSHGQIVIIBVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O2S2/c14-12(15)13-18-10(6-22-13)23(20,21)19-9-3-1-2-8-7(4-16)5-17-11(8)9/h1-3,5-6,12,17,19H.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-2-(difluoromethyl)-1,3-thiazole-4-sulfonamide has a molecular weight of 354.36 g/mol, XLogP of 3.23, 4 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-(difluoromethyl)-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 171664635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).