1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide

C20H23ClN2O3S — CID 3214784

IUPAC1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-14-5-3-7-17(11-14)22-20(24)16-6-4-10-23(13-16)27(25,26)18-9-8-15(2)19(21)12-18/h3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,22,24)
InChIKeyPULXBXSPBCMQMM-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.00
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide

1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 3214784) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID3214784
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)c1
InChIInChI=1S/C20H23ClN2O3S/c1-14-5-3-7-17(11-14)22-20(24)16-6-4-10-23(13-16)27(25,26)18-9-8-15(2)19(21)12-18/h3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,22,24)
InChIKeyPULXBXSPBCMQMM-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 1456902
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 3931290
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-pyridin-3-ylpiperidine-3-carboxamide
CID 1456875
(3R)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 1456847
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
methyl N-[4-[(3R)-3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190398
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 1456841
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 126398428
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92641688

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (CID 3214784) is 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)c(Cl)c3)C2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is PULXBXSPBCMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-14-5-3-7-17(11-14)22-20(24)16-6-4-10-23(13-16)27(25,26)18-9-8-15(2)19(21)12-18/h3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,22,24).
What are the key properties of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 406.94 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 3214784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).