(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide

C19H19Cl3N2O3S — CID 126396495

IUPAC(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1Cl
InChIInChI=1S/C19H19Cl3N2O3S/c1-12-4-6-15(10-17(12)22)23-19(25)13-3-2-8-24(11-13)28(26,27)18-9-14(20)5-7-16(18)21/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyPLKZDGHBWMXJFF-CYBMUJFWSA-N
MW461.80 g/mol
LogP4.99
Rot. Bonds4

About (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide

(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 126396495) has the molecular formula C19H19Cl3N2O3S and a molecular weight of 461.80 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID126396495
Molecular FormulaC19H19Cl3N2O3S
Molecular Weight461.80 g/mol
Exact Mass460.02
IUPAC Name(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1Cl
InChIInChI=1S/C19H19Cl3N2O3S/c1-12-4-6-15(10-17(12)22)23-19(25)13-3-2-8-24(11-13)28(26,27)18-9-14(20)5-7-16(18)21/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyPLKZDGHBWMXJFF-CYBMUJFWSA-N
XLogP4.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.80
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 126395837
(3S)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126398447
(3S)-1-(2,5-dichlorophenyl)sulfonyl-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 126397151
N-(3-acetylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 2981126
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51941069
(3S)-1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 28550676
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
methyl N-[4-[(3R)-3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190398
1-(2,5-dichlorophenyl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 2992639
(3R)-N-(3-chloro-4-methylphenyl)-1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 93053385
(3S)-1-(4-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 78923457

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide (CID 126396495) is (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cc1Cl.
What is the InChIKey of (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PLKZDGHBWMXJFF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19Cl3N2O3S/c1-12-4-6-15(10-17(12)22)23-19(25)13-3-2-8-24(11-13)28(26,27)18-9-14(20)5-7-16(18)21/h4-7,9-10,13H,2-3,8,11H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 461.80 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 126396495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).