(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide

C19H20Cl2N2O3S — CID 92641906

IUPAC(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O3S/c20-16-8-6-14(7-9-16)13-27(25,26)23-10-2-3-15(12-23)19(24)22-18-5-1-4-17(21)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,22,24)/t15-/m0/s1
InChIKeyYCBZBTSEMQVQGQ-HNNXBMFYSA-N
MW427.35 g/mol
LogP4.17
Rot. Bonds5

About (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide

(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide (PubChem CID 92641906) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
PubChem CID92641906
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H20Cl2N2O3S/c20-16-8-6-14(7-9-16)13-27(25,26)23-10-2-3-15(12-23)19(24)22-18-5-1-4-17(21)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,22,24)/t15-/m0/s1
InChIKeyYCBZBTSEMQVQGQ-HNNXBMFYSA-N
XLogP4.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methylsulfonyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 50810945
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92641688
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(3-prop-2-enoxyphenyl)piperidine-3-carboxamide
CID 92642045
1-[(4-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 50810963
(3R)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 92641729
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 92641782
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 92641894
(3S)-N-(3-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642216
1-[(3-chlorophenyl)methylsulfonyl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 50808955
N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50810841
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 100507734
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide (CID 92641906) is (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
The InChIKey is YCBZBTSEMQVQGQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c20-16-8-6-14(7-9-16)13-27(25,26)23-10-2-3-15(12-23)19(24)22-18-5-1-4-17(21)11-18/h1,4-9,11,15H,2-3,10,12-13H2,(H,22,24)/t15-/m0/s1.
What are the key properties of (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide?
(3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide has a molecular weight of 427.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 92641906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).