3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide

C13H17ClN2O3S — CID 47417650

IUPAC3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)c1ncccc1Cl)NC1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-11-6-3-8-15-13(11)20(18,19)9-7-12(17)16-10-4-1-2-5-10/h3,6,8,10H,1-2,4-5,7,9H2,(H,16,17)
InChIKeyTYYIHZQFQJQQAP-UHFFFAOYSA-N
MW316.81 g/mol
LogP1.96
Rot. Bonds5

About 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide

3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide (PubChem CID 47417650) has the molecular formula C13H17ClN2O3S and a molecular weight of 316.81 g/mol. Its IUPAC name is 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide
PubChem CID47417650
Molecular FormulaC13H17ClN2O3S
Molecular Weight316.81 g/mol
Exact Mass316.06
IUPAC Name3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide
SMILESO=C(CCS(=O)(=O)c1ncccc1Cl)NC1CCCC1
InChIInChI=1S/C13H17ClN2O3S/c14-11-6-3-8-15-13(11)20(18,19)9-7-12(17)16-10-4-1-2-5-10/h3,6,8,10H,1-2,4-5,7,9H2,(H,16,17)
InChIKeyTYYIHZQFQJQQAP-UHFFFAOYSA-N
XLogP1.96
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-cyclohexylpropanamide
CID 6458857
4-[(3-chloro-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 79401819
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-cyclohexylpropanamide
CID 110407206
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-[3-(cyclopentylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 86828824
3-[(4-chlorophenyl)methylsulfonyl]-N-cyclopentylpropanamide
CID 5058061
3-[(2-chloro-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 113220281
3-chloro-N-cyclopropylpyridine-2-sulfonamide
CID 71646489
3-chloro-2-(2-phenylethylsulfonyl)pyridine
CID 166181690
N-cyclopropyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]butanamide
CID 114598970
2-(2-chlorophenyl)sulfanyl-N-cyclopentylacetamide
CID 60624624

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide?
The IUPAC name of 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide (CID 47417650) is 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide is O=C(CCS(=O)(=O)c1ncccc1Cl)NC1CCCC1.
What is the InChIKey of 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide?
The InChIKey is TYYIHZQFQJQQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3S/c14-11-6-3-8-15-13(11)20(18,19)9-7-12(17)16-10-4-1-2-5-10/h3,6,8,10H,1-2,4-5,7,9H2,(H,16,17).
What are the key properties of 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide?
3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide has a molecular weight of 316.81 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-pyridinyl)sulfonyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 47417650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).