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

C19H22N2O3S — CID 15995314

IUPACN-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21
InChIInChI=1S/C19H22N2O3S/c1-4-19(22)21-10-9-15-12-16(6-8-18(15)21)25(23,24)20-17-7-5-13(2)11-14(17)3/h5-8,11-12,20H,4,9-10H2,1-3H3
InChIKeyWDARPNGQJODUSK-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.40
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 15995314) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID15995314
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21
InChIInChI=1S/C19H22N2O3S/c1-4-19(22)21-10-9-15-12-16(6-8-18(15)21)25(23,24)20-17-7-5-13(2)11-14(17)3/h5-8,11-12,20H,4,9-10H2,1-3H3
InChIKeyWDARPNGQJODUSK-UHFFFAOYSA-N
XLogP3.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-(2,4-dimethylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 7401545
N-[1-(3,4-dimethylphenyl)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 133184321
5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53059187
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100542888
N-butyl-2-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]benzamide
CID 100765135
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 15994881
N-(2-methylphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025563
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913
5-[(2,3-dimethylphenyl)sulfamoyl]-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 53058910
5-[(4-methylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059050
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 15995314) is N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3C)ccc21.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WDARPNGQJODUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-4-19(22)21-10-9-15-12-16(6-8-18(15)21)25(23,24)20-17-7-5-13(2)11-14(17)3/h5-8,11-12,20H,4,9-10H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15995314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).