6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide

C15H8ClF2N3O2S — CID 135188166

IUPAC6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
SMILESN#Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cc1F
InChIInChI=1S/C15H8ClF2N3O2S/c16-9-1-2-10-13(4-9)20-7-15(10)24(22,23)21-14-5-11(17)8(6-19)3-12(14)18/h1-5,7,20-21H
InChIKeyLPTUHTIDKFDPEY-UHFFFAOYSA-N
MW367.76 g/mol
LogP3.77
Rot. Bonds3

About 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide

6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide (PubChem CID 135188166) has the molecular formula C15H8ClF2N3O2S and a molecular weight of 367.76 g/mol. Its IUPAC name is 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
PubChem CID135188166
Molecular FormulaC15H8ClF2N3O2S
Molecular Weight367.76 g/mol
Exact Mass367.00
IUPAC Name6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
SMILESN#Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cc1F
InChIInChI=1S/C15H8ClF2N3O2S/c16-9-1-2-10-13(4-9)20-7-15(10)24(22,23)21-14-5-11(17)8(6-19)3-12(14)18/h1-5,7,20-21H
InChIKeyLPTUHTIDKFDPEY-UHFFFAOYSA-N
XLogP3.77
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
6-bromo-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201012
6-chloro-N-(2-cyano-5-fluorophenyl)-1H-indole-3-sulfonamide;6-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)-1H-indole-3-sulfonamide
CID 159605079
6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
CID 146237430
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-(4-methylthiophen-3-yl)-1H-indole-3-sulfonamide
CID 176711099
6-chloro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide;N-[4-(difluoromethoxy)-2,5-difluorophenyl]-6-methylsulfinyl-1H-indole-3-sulfonamide
CID 135188471
N-(4-chloro-2,5-difluorophenyl)-6-thiophen-3-yl-1H-indole-3-sulfonamide
CID 135201179
6-chloro-1H-indole-3-carbonitrile
CID 34177040
6-chloro-N-[5-cyano-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176711072
6-chloro-N-[5-fluoro-6-(2-fluoroethoxy)-2-methoxy-3-pyridinyl]-1H-indole-3-sulfonamide
CID 146278102

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide (CID 135188166) is 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide is N#Cc1cc(F)c(NS(=O)(=O)c2c[nH]c3cc(Cl)ccc23)cc1F.
What is the InChIKey of 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide?
The InChIKey is LPTUHTIDKFDPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2N3O2S/c16-9-1-2-10-13(4-9)20-7-15(10)24(22,23)21-14-5-11(17)8(6-19)3-12(14)18/h1-5,7,20-21H.
What are the key properties of 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide?
6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide has a molecular weight of 367.76 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135188166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).