4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide

C19H19NO3S — CID 101129278

IUPAC4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C2=CCCC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO3S/c1-14-10-12-16(13-11-14)24(22,23)20-19(15-6-3-2-4-7-15)17-8-5-9-18(17)21/h2-4,6-8,10-13,19-20H,5,9H2,1H3
InChIKeyPNBMZCGKPIKUIC-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.30
Rot. Bonds5

About 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide

4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide (PubChem CID 101129278) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide
PubChem CID101129278
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C2=CCCC2=O)c2ccccc2)cc1
InChIInChI=1S/C19H19NO3S/c1-14-10-12-16(13-11-14)24(22,23)20-19(15-6-3-2-4-7-15)17-8-5-9-18(17)21/h2-4,6-8,10-13,19-20H,5,9H2,1H3
InChIKeyPNBMZCGKPIKUIC-UHFFFAOYSA-N
XLogP3.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-5-{[(1-methyl-3-phenylpropyl)amino]sulfonyl}benzamide
CID 6460474
1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51358989
1-[1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 6609985
1-[2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 11639263
4-acetyl-N-[[3-[[(4-acetylphenyl)sulfonylamino]methyl]phenyl]methyl]benzenesulfonamide
CID 155558347
4-acetyl-N-cyclooctylbenzenesulfonamide
CID 7938156
4-methyl-N-[(2S)-4-oxo-1-phenylbutan-2-yl]benzenesulfonamide
CID 10757857
N-(6,6-dimethyl-5-oxo-1-phenylheptan-3-yl)-4-methylbenzenesulfonamide
CID 6636276
1-(4-Methylphenyl)sulfonyl-2-phenylpiperidin-4-one
CID 44825800
Tosyl phenylalanyl chloromethyl ketone
CID 18609500
1-[(3S,6S)-1-(4-methylphenyl)sulfonyl-6-phenylpiperidin-3-yl]ethanone
CID 53384231
4-methyl-N-(2-oxo-2-phenylethyl)benzenesulfonamide
CID 2306777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide (CID 101129278) is 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C2=CCCC2=O)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide?
The InChIKey is PNBMZCGKPIKUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-14-10-12-16(13-11-14)24(22,23)20-19(15-6-3-2-4-7-15)17-8-5-9-18(17)21/h2-4,6-8,10-13,19-20H,5,9H2,1H3.
What are the key properties of 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide?
4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-oxocyclopenten-1-yl)-phenylmethyl]benzenesulfonamide is sourced from PubChem (CID 101129278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).