3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

C17H19NO3S — CID 51169549

IUPAC3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C17H19NO3S/c1-12-7-4-5-10-17(12)13(2)18-22(20,21)16-9-6-8-15(11-16)14(3)19/h4-11,13,18H,1-3H3
InChIKeyBHLPNIAEHNEQFF-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.24
Rot. Bonds5

About 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 51169549) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID51169549
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2C)c1
InChIInChI=1S/C17H19NO3S/c1-12-7-4-5-10-17(12)13(2)18-22(20,21)16-9-6-8-15(11-16)14(3)19/h4-11,13,18H,1-3H3
InChIKeyBHLPNIAEHNEQFF-UHFFFAOYSA-N
XLogP3.24
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
4-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 26944548
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 133228972
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 51169549) is 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2C)c1.
What is the InChIKey of 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is BHLPNIAEHNEQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-7-4-5-10-17(12)13(2)18-22(20,21)16-9-6-8-15(11-16)14(3)19/h4-11,13,18H,1-3H3.
What are the key properties of 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51169549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).