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

C12H6ClFN4O2S2 — CID 170949579

IUPAC4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3nc(Cl)cs3)ccc(F)c12
InChIInChI=1S/C12H6ClFN4O2S2/c13-9-5-21-12(17-9)22(19,20)18-8-2-1-7(14)10-6(3-15)4-16-11(8)10/h1-2,4-5,16,18H
InChIKeyMZBIKXFZOBKVTQ-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.09
Rot. Bonds3

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

4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide (PubChem CID 170949579) has the molecular formula C12H6ClFN4O2S2 and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
PubChem CID170949579
Molecular FormulaC12H6ClFN4O2S2
Molecular Weight356.79 g/mol
Exact Mass355.96
IUPAC Name4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide
SMILESN#Cc1c[nH]c2c(NS(=O)(=O)c3nc(Cl)cs3)ccc(F)c12
InChIInChI=1S/C12H6ClFN4O2S2/c13-9-5-21-12(17-9)22(19,20)18-8-2-1-7(14)10-6(3-15)4-16-11(8)10/h1-2,4-5,16,18H
InChIKeyMZBIKXFZOBKVTQ-UHFFFAOYSA-N
XLogP3.09
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluoro-1H-indol-7-yl)-4-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 170949454
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
N-(3-cyano-4-fluoro-1H-indol-7-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 171055512
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-(trifluoromethyl)-1,3-thiazole-2-sulfonamide
CID 171664603
N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 171664605
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide
CID 171664610
N-(3-cyano-1H-indol-7-yl)-2-(trifluoromethyl)-1,3-thiazole-4-sulfonamide
CID 171664611

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The IUPAC name of 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide (CID 170949579) is 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide is N#Cc1c[nH]c2c(NS(=O)(=O)c3nc(Cl)cs3)ccc(F)c12.
What is the InChIKey of 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
The InChIKey is MZBIKXFZOBKVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN4O2S2/c13-9-5-21-12(17-9)22(19,20)18-8-2-1-7(14)10-6(3-15)4-16-11(8)10/h1-2,4-5,16,18H.
What are the key properties of 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide?
4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide has a molecular weight of 356.79 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyano-4-fluoro-1H-indol-7-yl)-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 170949579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).