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

C22H17N3O3S — CID 155116684

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C22H17N3O3S/c1-15-7-12-20(22-21(15)16(13-23)14-24-22)25-29(26,27)19-10-8-18(9-11-19)28-17-5-3-2-4-6-17/h2-12,14,24-25H,1H3
InChIKeyNKTKUYUGTWBZIC-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.94
Rot. Bonds5

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

N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide (PubChem CID 155116684) has the molecular formula C22H17N3O3S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
PubChem CID155116684
Molecular FormulaC22H17N3O3S
Molecular Weight403.46 g/mol
Exact Mass403.10
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2[nH]cc(C#N)c12
InChIInChI=1S/C22H17N3O3S/c1-15-7-12-20(22-21(15)16(13-23)14-24-22)25-29(26,27)19-10-8-18(9-11-19)28-17-5-3-2-4-6-17/h2-12,14,24-25H,1H3
InChIKeyNKTKUYUGTWBZIC-UHFFFAOYSA-N
XLogP4.94
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]phenyl]ethylcarbamic acid
CID 170332020
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
benzyl N-[[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoyl]-methylamino]carbamate
CID 166430256
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-nitrobenzenesulfonamide
CID 147300883
methyl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 155116653
4-(azidomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
CID 126455838
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 164863806
N-(3-cyano-4-fluoro-1H-indol-7-yl)-4-(2-hydroxy-2-methylpropoxy)benzenesulfonamide
CID 174262180
propan-2-yl 3-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]benzoate
CID 166148415
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-morpholin-4-ylbenzenesulfonamide
CID 177228503
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
CID 164863649

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide (CID 155116684) is N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide?
The InChIKey is NKTKUYUGTWBZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3S/c1-15-7-12-20(22-21(15)16(13-23)14-24-22)25-29(26,27)19-10-8-18(9-11-19)28-17-5-3-2-4-6-17/h2-12,14,24-25H,1H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 155116684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).