4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide

C19H21NO3S — CID 110454111

IUPAC4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
SMILESCC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1
InChIInChI=1S/C19H21NO3S/c1-14(21)15-6-8-16(9-7-15)17-10-12-19(13-11-17)24(22,23)20-18-4-2-3-5-18/h6-13,18,20H,2-5H2,1H3
InChIKeyMKMVWCBEQZDDNF-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.78
Rot. Bonds5

About 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide

4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide (PubChem CID 110454111) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
PubChem CID110454111
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Name4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
SMILESCC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1
InChIInChI=1S/C19H21NO3S/c1-14(21)15-6-8-16(9-7-15)17-10-12-19(13-11-17)24(22,23)20-18-4-2-3-5-18/h6-13,18,20H,2-5H2,1H3
InChIKeyMKMVWCBEQZDDNF-UHFFFAOYSA-N
XLogP3.78
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
CID 95318002
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
CID 106444263
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
N-cyclopropyl-4-(2-methylpropanoyl)benzenesulfonamide
CID 82164865
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide (CID 110454111) is 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide is CC(=O)c1ccc(-c2ccc(S(=O)(=O)NC3CCCC3)cc2)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide?
The InChIKey is MKMVWCBEQZDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-14(21)15-6-8-16(9-7-15)17-10-12-19(13-11-17)24(22,23)20-18-4-2-3-5-18/h6-13,18,20H,2-5H2,1H3.
What are the key properties of 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide?
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 110454111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).