4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide

C17H19NO3S — CID 10591582

IUPAC4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide
SMILESCC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)18-17(12-14(2)19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3
InChIKeyJCLQZURFDJUCNK-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.99
Rot. Bonds6

About 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide

4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide (PubChem CID 10591582) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide
PubChem CID10591582
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide
SMILESCC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)18-17(12-14(2)19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3
InChIKeyJCLQZURFDJUCNK-UHFFFAOYSA-N
XLogP2.99
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Nalpha-Tosyl-L-phenylalanine chloromethyl ketone
CID 439647
3-(4-Fluoro-phenyl)-3-(toluene-4-sulfonylamino)-propionic acid
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CID 6460474
4-cyclohexyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 16294017
N-(3-Chloro-2-oxo-1-(phenylmethyl)propyl)-4-methylbenzenesulfonamide
CID 9824
3-{[(4-Methylphenyl)sulfonyl]amino}-3-phenylpropanoic acid
CID 2834575
1-[1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 6609985
Tosyl-L-phenylalanyl Chloride
CID 7019169
4-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-N-(1-phenylethyl)benzenesulfonamide
CID 2954907
4-acetyl-N-cyclooctylbenzenesulfonamide
CID 7938156
4-methyl-N-[(2S)-4-oxo-1-phenylbutan-2-yl]benzenesulfonamide
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N-Tosyl-L-lysinyl methyl ketone
CID 5289452

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide (CID 10591582) is 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide is CC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide?
The InChIKey is JCLQZURFDJUCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-13-8-10-16(11-9-13)22(20,21)18-17(12-14(2)19)15-6-4-3-5-7-15/h3-11,17-18H,12H2,1-2H3.
What are the key properties of 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide?
4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-1-phenylbutyl)benzenesulfonamide is sourced from PubChem (CID 10591582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).