3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide

C17H15N3O3S — CID 170407735

IUPAC3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C)c12
InChIInChI=1S/C17H15N3O3S/c1-11-10-19-17-14(6-7-15(23-2)16(11)17)20-24(21,22)13-5-3-4-12(8-13)9-18/h3-8,10,19-20H,1-2H3
InChIKeyUYSMMWHPHQPFAY-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.16
Rot. Bonds4

About 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide

3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide (PubChem CID 170407735) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
PubChem CID170407735
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C)c12
InChIInChI=1S/C17H15N3O3S/c1-11-10-19-17-14(6-7-15(23-2)16(11)17)20-24(21,22)13-5-3-4-12(8-13)9-18/h3-8,10,19-20H,1-2H3
InChIKeyUYSMMWHPHQPFAY-UHFFFAOYSA-N
XLogP3.16
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(3,4-dichloro-1H-indol-7-yl)benzenesulfonamide
CID 164863478
N-[4-[(3-cyanophenyl)sulfonylamino]-5-methoxy-2-methylphenyl]benzamide
CID 3738165
3-cyano-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 7938488
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
3-cyano-N-[4-methoxy-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 47066381
3-cyano-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 62815564
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-nitrobenzenesulfonamide
CID 147300883
3-cyano-N-(3-hydroxy-2-methylphenyl)benzenesulfonamide
CID 64794037
propan-2-yl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 166148415
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667
N-(3-chloro-2-methylphenyl)-3-cyanobenzenesulfonamide
CID 7938773
3-cyano-N-(2,6-difluorophenyl)benzenesulfonamide
CID 8500884

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide (CID 170407735) is 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c2[nH]cc(C)c12.
What is the InChIKey of 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is UYSMMWHPHQPFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11-10-19-17-14(6-7-15(23-2)16(11)17)20-24(21,22)13-5-3-4-12(8-13)9-18/h3-8,10,19-20H,1-2H3.
What are the key properties of 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide?
3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 341.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4-methoxy-3-methyl-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 170407735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).