4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide

C17H16N2O3S — CID 38943742

IUPAC4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-11-9-14-10-15(5-8-17(14)18-11)19-23(21,22)16-6-3-13(4-7-16)12(2)20/h3-10,18-19H,1-2H3
InChIKeyHDGDICIZZHAFNY-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.48
Rot. Bonds4

About 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide

4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide (PubChem CID 38943742) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
PubChem CID38943742
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-11-9-14-10-15(5-8-17(14)18-11)19-23(21,22)16-6-3-13(4-7-16)12(2)20/h3-10,18-19H,1-2H3
InChIKeyHDGDICIZZHAFNY-UHFFFAOYSA-N
XLogP3.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943715
4-acetyl-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781477
4-acetyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729102
4-acetyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzenesulfonamide
CID 9240650
4-[methoxy(methyl)sulfamoyl]-N-(2-methyl-1H-indol-5-yl)benzamide
CID 46467596
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
N-(4-acetylphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-sulfonamide
CID 20927608
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
4-acetyl-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 110731419
methyl 4-(1H-indazol-5-ylsulfamoyl)benzoate
CID 40687663
4-acetyl-N-[4-chloro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3712416

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide (CID 38943742) is 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1.
What is the InChIKey of 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is HDGDICIZZHAFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-9-14-10-15(5-8-17(14)18-11)19-23(21,22)16-6-3-13(4-7-16)12(2)20/h3-10,18-19H,1-2H3.
What are the key properties of 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide has a molecular weight of 328.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 38943742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).