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

C17H18N2O3S — CID 2986661

IUPAC1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C17H18N2O3S/c1-12-3-5-15(6-4-12)18-23(21,22)16-7-8-17-14(11-16)9-10-19(17)13(2)20/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBIRGTELIHIFUKR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.70
Rot. Bonds3

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

1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 2986661) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID2986661
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21
InChIInChI=1S/C17H18N2O3S/c1-12-3-5-15(6-4-12)18-23(21,22)16-7-8-17-14(11-16)9-10-19(17)13(2)20/h3-8,11,18H,9-10H2,1-2H3
InChIKeyBIRGTELIHIFUKR-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide (CID 2986661) is 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(C)cc3)ccc21.
What is the InChIKey of 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BIRGTELIHIFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12-3-5-15(6-4-12)18-23(21,22)16-7-8-17-14(11-16)9-10-19(17)13(2)20/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 2986661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).