[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone

C18H18ClNO3S — CID 129367282

IUPAC[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c1-13-8-10-14(11-9-13)18(21)16-6-4-12-20(16)24(22,23)17-7-3-2-5-15(17)19/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1
InChIKeyLTMXACSQORGCIE-INIZCTEOSA-N
MW363.87 g/mol
LogP3.68
Rot. Bonds4

About [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone

[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone (PubChem CID 129367282) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
PubChem CID129367282
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C18H18ClNO3S/c1-13-8-10-14(11-9-13)18(21)16-6-4-12-20(16)24(22,23)17-7-3-2-5-15(17)19/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1
InChIKeyLTMXACSQORGCIE-INIZCTEOSA-N
XLogP3.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 23597176
(4-methylphenyl)-[1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110395032
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931
[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61408875
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
1-(2-chloro-4-methylphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 47305164
[1-(4-ethoxyphenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone
CID 110395047
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 2100876
(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
phenyl-[(2S)-1-piperidin-1-ylsulfonylpyrrolidin-2-yl]methanone
CID 126824892
1-(2-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 55598353

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
The IUPAC name of [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone (CID 129367282) is [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
The InChIKey is LTMXACSQORGCIE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c1-13-8-10-14(11-9-13)18(21)16-6-4-12-20(16)24(22,23)17-7-3-2-5-15(17)19/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone?
[(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone has a molecular weight of 363.87 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 129367282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).