1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide

C18H20N2O3S — CID 2992422

IUPAC1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-12-4-6-17(13(2)10-12)19-24(22,23)16-5-7-18-15(11-16)8-9-20(18)14(3)21/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyDAIWJDIOFWUZQU-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.01
Rot. Bonds3

About 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 2992422) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID2992422
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21
InChIInChI=1S/C18H20N2O3S/c1-12-4-6-17(13(2)10-12)19-24(22,23)16-5-7-18-15(11-16)8-9-20(18)14(3)21/h4-7,10-11,19H,8-9H2,1-3H3
InChIKeyDAIWJDIOFWUZQU-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
2-(2,3-dihydroindol-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2817021
5-(3,5-Dimethyl-piperidine-1-sulfonyl)-1,3-dihydro-indol-2-one
CID 16307044
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
1-acetyl-6-(2,3-dihydro-1H-indol-1-ylsulfonyl)indoline
CID 2940687
1-acetyl-N-(4-methylphenyl)indoline-5-sulfonamide
CID 2986661

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide (CID 2992422) is 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21.
What is the InChIKey of 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DAIWJDIOFWUZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-4-6-17(13(2)10-12)19-24(22,23)16-5-7-18-15(11-16)8-9-20(18)14(3)21/h4-7,10-11,19H,8-9H2,1-3H3.
What are the key properties of 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,4-dimethylphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 2992422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).