3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide

C15H20ClNO3S — CID 5058061

IUPAC3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H20ClNO3S/c16-13-7-5-12(6-8-13)11-21(19,20)10-9-15(18)17-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,17,18)
InChIKeyDAQXSWWIOKRFNO-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.70
Rot. Bonds6

About 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide

3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide (PubChem CID 5058061) has the molecular formula C15H20ClNO3S and a molecular weight of 329.85 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
PubChem CID5058061
Molecular FormulaC15H20ClNO3S
Molecular Weight329.85 g/mol
Exact Mass329.09
IUPAC Name3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H20ClNO3S/c16-13-7-5-12(6-8-13)11-21(19,20)10-9-15(18)17-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,17,18)
InChIKeyDAQXSWWIOKRFNO-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenyl)ethylamino]-N-cyclopentylpropanamide
CID 109013461
3-[(4-chlorophenyl)methylsulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 15996431
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
4-chloro-N-[3-(cyclopentylamino)-3-oxopropyl]benzamide
CID 9215115
4-chloro-N-[3-(cyclohexylamino)-3-oxopropyl]benzamide
CID 4822526
2-[2-(4-chlorophenyl)ethyl-methylsulfonylamino]-N-cyclopentylacetamide
CID 113152544
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide
CID 47417650
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 1281165

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide (CID 5058061) is 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide is O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide?
The InChIKey is DAQXSWWIOKRFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3S/c16-13-7-5-12(6-8-13)11-21(19,20)10-9-15(18)17-14-3-1-2-4-14/h5-8,14H,1-4,9-11H2,(H,17,18).
What are the key properties of 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide?
3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide has a molecular weight of 329.85 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 5058061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).