N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide

C16H11F2N3O2S — CID 155116682

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H11F2N3O2S/c1-9-2-4-13(16-15(9)10(7-19)8-20-16)21-24(22,23)14-5-3-11(17)6-12(14)18/h2-6,8,20-21H,1H3
InChIKeyIHQVZMKFDUXINU-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.43
Rot. Bonds3

About N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide

N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide (PubChem CID 155116682) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
PubChem CID155116682
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H11F2N3O2S/c1-9-2-4-13(16-15(9)10(7-19)8-20-16)21-24(22,23)14-5-3-11(17)6-12(14)18/h2-6,8,20-21H,1H3
InChIKeyIHQVZMKFDUXINU-UHFFFAOYSA-N
XLogP3.43
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide (CID 155116682) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(F)cc2F)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
The InChIKey is IHQVZMKFDUXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c1-9-2-4-13(16-15(9)10(7-19)8-20-16)21-24(22,23)14-5-3-11(17)6-12(14)18/h2-6,8,20-21H,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide has a molecular weight of 347.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 155116682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).