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

C19H20ClNO3S — CID 67168519

IUPAC[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-2-4-15(5-3-14)19(22)21-12-10-18(11-13-21)25(23,24)17-8-6-16(20)7-9-17/h2-9,18H,10-13H2,1H3
InChIKeyWFDKXHXLAVQPIB-UHFFFAOYSA-N
MW377.89 g/mol
LogP3.73
Rot. Bonds3

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

[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone (PubChem CID 67168519) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
PubChem CID67168519
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-14-2-4-15(5-3-14)19(22)21-12-10-18(11-13-21)25(23,24)17-8-6-16(20)7-9-17/h2-9,18H,10-13H2,1H3
InChIKeyWFDKXHXLAVQPIB-UHFFFAOYSA-N
XLogP3.73
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
3-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 90587847
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[4-(4-methylphenyl)phenyl]methanone
CID 90586593
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781
(4-chlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589993
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
methyl 4-[3-(4-chlorophenyl)sulfonylazetidine-1-carbonyl]benzoate
CID 71809474

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone (CID 67168519) is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is WFDKXHXLAVQPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-14-2-4-15(5-3-14)19(22)21-12-10-18(11-13-21)25(23,24)17-8-6-16(20)7-9-17/h2-9,18H,10-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone?
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 377.89 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 67168519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).