3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine

C15H15ClN2O2S — CID 2738276

IUPAC3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C15H15ClN2O2S/c16-13-5-7-14(8-6-13)21(19,20)18-10-2-4-15(18)12-3-1-9-17-11-12/h1,3,5-9,11,15H,2,4,10H2
InChIKeySIKAKERNILXQAG-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.26
Rot. Bonds3

About 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine

3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 2738276) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID2738276
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCCC1c1cccnc1
InChIInChI=1S/C15H15ClN2O2S/c16-13-5-7-14(8-6-13)21(19,20)18-10-2-4-15(18)12-3-1-9-17-11-12/h1,3,5-9,11,15H,2,4,10H2
InChIKeySIKAKERNILXQAG-UHFFFAOYSA-N
XLogP3.26
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-{1-[(4-Chlorophenyl)sulfonyl]piperidin-2-yl}pyridine
CID 2894141
Pyridine, 4-(2-(4-chlorophenylsulfonyl)ethyl)-, hydrochloride
CID 3050824
6-chloro-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 2433231
2-Chloro-5-(pyrrolidine-1-sulfonyl)pyridine
CID 2433223
1-(4-Chloro-benzenesulfonyl)-4-pyridin-3-ylmethyl-piperazine
CID 600536
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
CID 2807131
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
6-chloro-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 2433221
4-chloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 710402
4-chloro-N-[8-pyridin-3-yl-5-[2-(5H-tetrazol-5-yl)ethyl]octyl]benzenesulfonamide
CID 14986690
4-chloro-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 2426990
6-chloro-N-methyl-N-phenylpyridine-3-sulfonamide
CID 2529980

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 2738276) is 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine is O=S(=O)(c1ccc(Cl)cc1)N1CCCC1c1cccnc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is SIKAKERNILXQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-13-5-7-14(8-6-13)21(19,20)18-10-2-4-15(18)12-3-1-9-17-11-12/h1,3,5-9,11,15H,2,4,10H2.
What are the key properties of 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 322.82 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 2738276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).