3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide

C20H24N2O3S — CID 110358460

IUPAC3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C(C)C)cc1C
InChIInChI=1S/C20H24N2O3S/c1-13(2)20(23)22-10-9-16-12-17(6-8-19(16)22)21-26(24,25)18-7-5-14(3)15(4)11-18/h5-8,11-13,21H,9-10H2,1-4H3
InChIKeyRSWQCJQADJUPQV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.65
Rot. Bonds4

About 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide

3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide (PubChem CID 110358460) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
PubChem CID110358460
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C(C)C)cc1C
InChIInChI=1S/C20H24N2O3S/c1-13(2)20(23)22-10-9-16-12-17(6-8-19(16)22)21-26(24,25)18-7-5-14(3)15(4)11-18/h5-8,11-13,21H,9-10H2,1-4H3
InChIKeyRSWQCJQADJUPQV-UHFFFAOYSA-N
XLogP3.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110358483
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]naphthalene-2-sulfonamide
CID 7498928
2-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]-5-nitrobenzenesulfonamide
CID 7498927
5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939
5-ethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]thiophene-2-sulfonamide
CID 110358472
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 7498773
1-chloro-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]methanesulfonamide
CID 7635663
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
4-methoxy-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604917
4-[5-[(3-chloro-4-methylphenyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864322
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
4-fluoro-3-methyl-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 27604913

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide (CID 110358460) is 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)C(C)C)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide?
The InChIKey is RSWQCJQADJUPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-13(2)20(23)22-10-9-16-12-17(6-8-19(16)22)21-26(24,25)18-7-5-14(3)15(4)11-18/h5-8,11-13,21H,9-10H2,1-4H3.
What are the key properties of 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide?
3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]benzenesulfonamide is sourced from PubChem (CID 110358460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).