(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone

C18H17Cl2NO3S — CID 26327318

IUPAC(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H17Cl2NO3S/c19-15-7-3-5-13(11-15)18(22)14-6-4-10-21(12-14)25(23,24)17-9-2-1-8-16(17)20/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m1/s1
InChIKeyAYYRMMRCZISLHD-CQSZACIVSA-N
MW398.31 g/mol
LogP4.28
Rot. Bonds4

About (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone

(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone (PubChem CID 26327318) has the molecular formula C18H17Cl2NO3S and a molecular weight of 398.31 g/mol. Its IUPAC name is (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone
PubChem CID26327318
Molecular FormulaC18H17Cl2NO3S
Molecular Weight398.31 g/mol
Exact Mass397.03
IUPAC Name(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone
SMILESO=C(c1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C18H17Cl2NO3S/c19-15-7-3-5-13(11-15)18(22)14-6-4-10-21(12-14)25(23,24)17-9-2-1-8-16(17)20/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m1/s1
InChIKeyAYYRMMRCZISLHD-CQSZACIVSA-N
XLogP4.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)-[(3S)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone
CID 26334488
methyl 3-[(3R)-3-(3-chlorobenzoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 42459950
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1,3,3a,4,7,7a-hexahydroisoindol-2-yl-[(3S)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 58702098
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 2981126
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide
CID 58702073
1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 2992639

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone (CID 26327318) is (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone is O=C(c1cccc(Cl)c1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone?
The InChIKey is AYYRMMRCZISLHD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17Cl2NO3S/c19-15-7-3-5-13(11-15)18(22)14-6-4-10-21(12-14)25(23,24)17-9-2-1-8-16(17)20/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone?
(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone has a molecular weight of 398.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 26327318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).