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

C19H20ClNO3S — CID 1438183

IUPAC(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-2-8-18(9-3-14)25(23,24)21-12-10-16(11-13-21)19(22)15-4-6-17(20)7-5-15/h2-9,16H,10-13H2,1H3
InChIKeyDWNKEHHXADQGEW-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.93
Rot. Bonds4

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

(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 1438183) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID1438183
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-2-8-18(9-3-14)25(23,24)21-12-10-16(11-13-21)19(22)15-4-6-17(20)7-5-15/h2-9,16H,10-13H2,1H3
InChIKeyDWNKEHHXADQGEW-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

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Related Compounds

(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
2-chloro-4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 55914969
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1438189
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 52724337
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 55913947
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 122373730
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108560467

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone (CID 1438183) is (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is DWNKEHHXADQGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-14-2-8-18(9-3-14)25(23,24)21-12-10-16(11-13-21)19(22)15-4-6-17(20)7-5-15/h2-9,16H,10-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]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 (4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 1438183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).