4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide

C13H16ClNO3S — CID 106444263

IUPAC4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCCC2Cl)cc1
InChIInChI=1S/C13H16ClNO3S/c1-9(16)10-5-7-11(8-6-10)19(17,18)15-13-4-2-3-12(13)14/h5-8,12-13,15H,2-4H2,1H3
InChIKeyHYPDNPNMJMJASV-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.33
Rot. Bonds4

About 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide

4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide (PubChem CID 106444263) has the molecular formula C13H16ClNO3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
PubChem CID106444263
Molecular FormulaC13H16ClNO3S
Molecular Weight301.80 g/mol
Exact Mass301.05
IUPAC Name4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCCC2Cl)cc1
InChIInChI=1S/C13H16ClNO3S/c1-9(16)10-5-7-11(8-6-10)19(17,18)15-13-4-2-3-12(13)14/h5-8,12-13,15H,2-4H2,1H3
InChIKeyHYPDNPNMJMJASV-UHFFFAOYSA-N
XLogP2.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-acetyl-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916419
3,4-dichloro-N-(2-chlorocyclohexyl)benzenesulfonamide
CID 65030631
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
CID 103697977
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584
4-acetyl-N-[(3S)-2-oxooxolan-3-yl]benzenesulfonamide
CID 29288988
4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
CID 95318002

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide (CID 106444263) is 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CCCC2Cl)cc1.
What is the InChIKey of 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide?
The InChIKey is HYPDNPNMJMJASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-9(16)10-5-7-11(8-6-10)19(17,18)15-13-4-2-3-12(13)14/h5-8,12-13,15H,2-4H2,1H3.
What are the key properties of 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide?
4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide has a molecular weight of 301.80 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-chlorocyclopentyl)benzenesulfonamide is sourced from PubChem (CID 106444263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).