4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide

C16H13ClN4O3S — CID 170949437

IUPAC4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2onc(C3CC3)c2Cl)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H13ClN4O3S/c1-8-2-5-11(15-12(8)10(6-18)7-19-15)21-25(22,23)16-13(17)14(20-24-16)9-3-4-9/h2,5,7,9,19,21H,3-4H2,1H3
InChIKeyNBBMQCGFZJNMAJ-UHFFFAOYSA-N
MW376.83 g/mol
LogP3.67
Rot. Bonds4

About 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide

4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide (PubChem CID 170949437) has the molecular formula C16H13ClN4O3S and a molecular weight of 376.83 g/mol. Its IUPAC name is 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide
PubChem CID170949437
Molecular FormulaC16H13ClN4O3S
Molecular Weight376.83 g/mol
Exact Mass376.04
IUPAC Name4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2onc(C3CC3)c2Cl)c2[nH]cc(C#N)c12
InChIInChI=1S/C16H13ClN4O3S/c1-8-2-5-11(15-12(8)10(6-18)7-19-15)21-25(22,23)16-13(17)14(20-24-16)9-3-4-9/h2,5,7,9,19,21H,3-4H2,1H3
InChIKeyNBBMQCGFZJNMAJ-UHFFFAOYSA-N
XLogP3.67
TPSA111.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.83
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
3-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(1-hydroxy-2-methylpropan-2-yl)pyrazole-4-sulfonamide
CID 155193590
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
CID 172572539
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 172572416
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-morpholin-4-ylbenzenesulfonamide
CID 177228503
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
4-methyl-7-(methylamino)-1H-indole-3-carbonitrile
CID 139366191
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
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-(3-oxopiperazin-1-yl)sulfonylbenzenesulfonamide
CID 164863806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide (CID 170949437) is 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2onc(C3CC3)c2Cl)c2[nH]cc(C#N)c12.
What is the InChIKey of 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide?
The InChIKey is NBBMQCGFZJNMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3S/c1-8-2-5-11(15-12(8)10(6-18)7-19-15)21-25(22,23)16-13(17)14(20-24-16)9-3-4-9/h2,5,7,9,19,21H,3-4H2,1H3.
What are the key properties of 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide?
4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide has a molecular weight of 376.83 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyclopropyl-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 170949437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).