[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone

C19H20ClNO3S — CID 110394188

IUPAC[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-5-7-15(8-6-14)19(22)16-9-11-21(12-10-16)25(23,24)18-4-2-3-17(20)13-18/h2-8,13,16H,9-12H2,1H3
InChIKeyYKNRASKZPZJCKZ-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.93
Rot. Bonds4

About [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone

[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone (PubChem CID 110394188) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
PubChem CID110394188
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-5-7-15(8-6-14)19(22)16-9-11-21(12-10-16)25(23,24)18-4-2-3-17(20)13-18/h2-8,13,16H,9-12H2,1H3
InChIKeyYKNRASKZPZJCKZ-UHFFFAOYSA-N
XLogP3.93
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3-chlorophenyl)sulfonylpiperidin-4-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

3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 55913947
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034
2-chloro-4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 55914969
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
(4-methylphenyl)-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 55913562
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
[1-(benzenesulfonyl)piperidin-4-yl]-(2,4-dimethylphenyl)methanone
CID 34162008
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone (CID 110394188) is [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
The InChIKey is YKNRASKZPZJCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-14-5-7-15(8-6-14)19(22)16-9-11-21(12-10-16)25(23,24)18-4-2-3-17(20)13-18/h2-8,13,16H,9-12H2,1H3.
What are the key properties of [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone?
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone has a molecular weight of 377.89 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 110394188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).