1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide

C17H18N2O3S — CID 3163725

IUPAC1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-12(13-6-4-3-5-7-13)18-23(21,22)15-8-9-16-14(10-15)11-17(20)19(16)2/h3-10,12,18H,11H2,1-2H3
InChIKeyWFWNAJVGESNPJR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.24
Rot. Bonds4

About 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide

1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide (PubChem CID 3163725) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
PubChem CID3163725
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-12(13-6-4-3-5-7-13)18-23(21,22)15-8-9-16-14(10-15)11-17(20)19(16)2/h3-10,12,18H,11H2,1-2H3
InChIKeyWFWNAJVGESNPJR-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-(1-pyridin-4-ylethyl)-3H-indole-5-sulfonamide
CID 110724562
1-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3H-indole-5-sulfonamide
CID 110347532
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 133145245
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
1-methyl-N-(5-methylhexyl)-2-oxo-3H-indole-5-sulfonamide
CID 110672112
N-(2-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113098520
1-methyl-N-[4-(3-methylbutylamino)phenyl]-2-oxo-3H-indole-5-sulfonamide
CID 112985170
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
1-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-oxo-3H-indole-5-sulfonamide
CID 110351456

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide (CID 3163725) is 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccccc1.
What is the InChIKey of 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide?
The InChIKey is WFWNAJVGESNPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(13-6-4-3-5-7-13)18-23(21,22)15-8-9-16-14(10-15)11-17(20)19(16)2/h3-10,12,18H,11H2,1-2H3.
What are the key properties of 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(1-phenylethyl)-3H-indole-5-sulfonamide is sourced from PubChem (CID 3163725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).