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

C18H17Cl2NO3S — CID 67168197

IUPAC(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17Cl2NO3S/c19-14-3-1-13(2-4-14)18(22)21-11-9-17(10-12-21)25(23,24)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2
InChIKeyBFTCRESVDSISIO-UHFFFAOYSA-N
MW398.31 g/mol
LogP4.07
Rot. Bonds3

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

(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 67168197) has the molecular formula C18H17Cl2NO3S and a molecular weight of 398.31 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID67168197
Molecular FormulaC18H17Cl2NO3S
Molecular Weight398.31 g/mol
Exact Mass397.03
IUPAC Name(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H17Cl2NO3S/c19-14-3-1-13(2-4-14)18(22)21-11-9-17(10-12-21)25(23,24)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2
InChIKeyBFTCRESVDSISIO-UHFFFAOYSA-N
XLogP4.07
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
4-(4-chlorophenyl)sulfonylpiperidine-1-carbonyl chloride
CID 87288005
[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 90587778
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
(4-chlorophenyl)-[(3S)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 97414892
(3-bromophenyl)-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 71806028
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781
(4-chlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589993
(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-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone (CID 67168197) is (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is BFTCRESVDSISIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO3S/c19-14-3-1-13(2-4-14)18(22)21-11-9-17(10-12-21)25(23,24)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2.
What are the key properties of (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone?
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 398.31 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 67168197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).