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

C31H20Cl2FN5O6S2 — CID 159605079

IUPAC6-chloro-N-(2-cyano-5-fluorophenyl)-1H-indole-3-sulfonamide;6-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)-1H-indole-3-sulfonamide
SMILESN#Cc1ccc(F)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12.O=C1OCc2ccc(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)cc21
InChIInChI=1S/C16H11ClN2O4S.C15H9ClFN3O2S/c17-10-2-4-12-14(5-10)18-7-15(12)24(21,22)19-11-3-1-9-8-23-16(20)13(9)6-11;16-10-2-4-12-14(5-10)19-8-15(12)23(21,22)20-13-6-11(17)3-1-9(13)7-18/h1-7,18-19H,8H2;1-6,8,19-20H
InChIKeyMLZBVTVUVLFHOS-UHFFFAOYSA-N
MW712.57 g/mol
LogP6.93
Rot. Bonds6

About 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

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 (PubChem CID 159605079) has the molecular formula C31H20Cl2FN5O6S2 and a molecular weight of 712.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-chloro-N-(2-cyano-5-fluorophenyl)-1H-indole-3-sulfonamide;6-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)-1H-indole-3-sulfonamide
PubChem CID159605079
Molecular FormulaC31H20Cl2FN5O6S2
Molecular Weight712.57 g/mol
Exact Mass711.02
IUPAC Name6-chloro-N-(2-cyano-5-fluorophenyl)-1H-indole-3-sulfonamide;6-chloro-N-(3-oxo-1H-2-benzofuran-5-yl)-1H-indole-3-sulfonamide
SMILESN#Cc1ccc(F)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12.O=C1OCc2ccc(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)cc21
InChIInChI=1S/C16H11ClN2O4S.C15H9ClFN3O2S/c17-10-2-4-12-14(5-10)18-7-15(12)24(21,22)19-11-3-1-9-8-23-16(20)13(9)6-11;16-10-2-4-12-14(5-10)19-8-15(12)23(21,22)20-13-6-11(17)3-1-9(13)7-18/h1-7,18-19H,8H2;1-6,8,19-20H
InChIKeyMLZBVTVUVLFHOS-UHFFFAOYSA-N
XLogP6.93
TPSA174.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.57
LogP ≤ 56.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-N-(4-cyano-2,5-difluorophenyl)-1H-indole-3-sulfonamide
CID 135188166
N-(4-cyanophenyl)-6-fluoro-1H-indole-3-sulfonamide
CID 135187095
6-fluoro-N-(2,4,5-trifluorophenyl)-1H-indole-3-sulfonamide
CID 135201111
N-(4-bromo-2,5-difluorophenyl)-6-chloro-1H-indole-3-sulfonamide
CID 135201048
6-chloro-N-(2-chloro-3-fluorophenyl)-1H-indole-3-sulfonamide;N-(2,5-difluorophenyl)-5-iodo-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 158335976
6-chloro-N-(5-fluoro-1,1-dihydroxy-2,3-dihydro-1-benzothiophen-6-yl)-1H-indole-3-sulfonamide
CID 146237430
2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
CID 3264977
6-chloro-N-[5-cyano-1-(oxetan-3-ylmethyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176711072
N-(3-oxo-1H-2-benzofuran-5-yl)methanesulfonamide
CID 738096
6-fluoro-N-(2-fluoro-4-iodophenyl)-1H-indole-3-sulfonamide
CID 142393306
carbanide;6-chloro-N-(2,5-difluoro-3-pyridinyl)-1H-indole-3-sulfonamide;6-chloro-1H-indole-3-sulfonyl chloride;2,5-difluoropyridin-3-amine;iodide
CID 159489469
6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(F)cc1NS(=O)(=O)c1c[nH]c2cc(Cl)ccc12.O=C1OCc2ccc(NS(=O)(=O)c3c[nH]c4cc(Cl)ccc34)cc21.
What is the InChIKey of 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?
The InChIKey is MLZBVTVUVLFHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4S.C15H9ClFN3O2S/c17-10-2-4-12-14(5-10)18-7-15(12)24(21,22)19-11-3-1-9-8-23-16(20)13(9)6-11;16-10-2-4-12-14(5-10)19-8-15(12)23(21,22)20-13-6-11(17)3-1-9(13)7-18/h1-7,18-19H,8H2;1-6,8,19-20H.
What are the key properties of 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?
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 has a molecular weight of 712.57 g/mol, XLogP of 6.93, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159605079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).