N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide

C17H18N2O3S — CID 20933287

IUPACN-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H18N2O3S/c1-3-19-16-9-6-14(10-13(16)11-17(19)20)18-23(21,22)15-7-4-12(2)5-8-15/h4-10,18H,3,11H2,1-2H3
InChIKeyYLFSTVKXVBPHPZ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.70
Rot. Bonds4

About N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide

N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 20933287) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
PubChem CID20933287
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21
InChIInChI=1S/C17H18N2O3S/c1-3-19-16-9-6-14(10-13(16)11-17(19)20)18-23(21,22)15-7-4-12(2)5-8-15/h4-10,18H,3,11H2,1-2H3
InChIKeyYLFSTVKXVBPHPZ-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
N-(1-ethyl-2-oxo-3H-indol-5-yl)-3-fluorobenzenesulfonamide
CID 41342440
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methoxybenzenesulfonamide
CID 41342461
N-(1-ethyl-2-oxo-3H-indol-5-yl)thiophene-2-sulfonamide
CID 41342430
2,5-dichloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 41342434
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-difluorobenzenesulfonamide
CID 20933274
N-[4-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)sulfamoyl]phenyl]butanamide
CID 20933594
1-ethyl-5-(methylamino)-3H-indol-2-one
CID 82551072
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 41342429
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 20933581
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 16826950
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide (CID 20933287) is N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is YLFSTVKXVBPHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-3-19-16-9-6-14(10-13(16)11-17(19)20)18-23(21,22)15-7-4-12(2)5-8-15/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide?
N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 20933287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).