(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide

C19H27ClN2O3S — CID 71456570

IUPAC(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27ClN2O3S/c1-14-16(20)10-6-11-17(14)26(24,25)22-13-7-12-19(22,2)18(23)21-15-8-4-3-5-9-15/h6,10-11,15H,3-5,7-9,12-13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyWRMNTMIZEUMXFM-LJQANCHMSA-N
MW398.96 g/mol
LogP3.64
Rot. Bonds4

About (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide

(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide (PubChem CID 71456570) has the molecular formula C19H27ClN2O3S and a molecular weight of 398.96 g/mol. Its IUPAC name is (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide
PubChem CID71456570
Molecular FormulaC19H27ClN2O3S
Molecular Weight398.96 g/mol
Exact Mass398.14
IUPAC Name(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27ClN2O3S/c1-14-16(20)10-6-11-17(14)26(24,25)22-13-7-12-19(22,2)18(23)21-15-8-4-3-5-9-15/h6,10-11,15H,3-5,7-9,12-13H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyWRMNTMIZEUMXFM-LJQANCHMSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-((3-Chloro-2-methylphenyl)sulfonyl)-N-cyclohexylpiperidine-3-carboxamide
CID 11538562
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
CID 2967611
4-chloro-N-[(3R)-2-oxoazepan-3-yl]-N-(3-phenylpropyl)benzenesulfonamide
CID 44444087
3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cycloheptyl-3-methylbutanamide
CID 54754864
3-[(3-chloro-2-methylphenyl)sulfonylamino]-N-cyclohexyl-3-methylbutanamide
CID 70650937
(2R)-N-(2-adamantyl)-1-(3-chloro-2-methylphenyl)sulfonyl-2-methylpyrrolidine-2-carboxamide
CID 71460265
1-(3-Chloro-4-methyl-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopentylamide
CID 1081036
1-(4-Chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid cyclohexylamide
CID 3154066
1-(3-Chloro-4-methyl-benzenesulfonyl)-piperidine-3-carboxylic acid cyclopentylamide
CID 3214769
1-(4-Chloro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 4-methyl-benzylamide
CID 3219603
(R)-1-(4-chlorophenylsulfonyl)-N-((R,S)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 11849752
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid 2-chloro-benzylamide
CID 24747004

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide (CID 71456570) is (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@]1(C)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is WRMNTMIZEUMXFM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27ClN2O3S/c1-14-16(20)10-6-11-17(14)26(24,25)22-13-7-12-19(22,2)18(23)21-15-8-4-3-5-9-15/h6,10-11,15H,3-5,7-9,12-13H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide?
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 398.96 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-cyclohexyl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71456570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).