(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide

C19H27ClN2O3S — CID 11538562

IUPAC(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C19H27ClN2O3S/c1-14-17(20)10-5-11-18(14)26(24,25)22-12-6-7-15(13-22)19(23)21-16-8-3-2-4-9-16/h5,10-11,15-16H,2-4,6-9,12-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyODRPEKCTTLECBX-HNNXBMFYSA-N
MW398.96 g/mol
LogP3.50
Rot. Bonds4

About (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide

(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 11538562) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
PubChem CID11538562
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1
InChIInChI=1S/C19H27ClN2O3S/c1-14-17(20)10-5-11-18(14)26(24,25)22-12-6-7-15(13-22)19(23)21-16-8-3-2-4-9-16/h5,10-11,15-16H,2-4,6-9,12-13H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyODRPEKCTTLECBX-HNNXBMFYSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide (CID 11538562) is (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)NC2CCCCC2)C1.
What is the InChIKey of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is ODRPEKCTTLECBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-14-17(20)10-5-11-18(14)26(24,25)22-12-6-7-15(13-22)19(23)21-16-8-3-2-4-9-16/h5,10-11,15-16H,2-4,6-9,12-13H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide?
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 11538562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).