N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide

C18H25ClN2O3S — CID 49024323

IUPACN-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCCC2C2CCCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-25(23,24)20-16-12-14(9-10-15(16)19)18(22)21-11-5-8-17(21)13-6-3-2-4-7-13/h9-10,12-13,17,20H,2-8,11H2,1H3
InChIKeySODZWRPMVAVKME-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.90
Rot. Bonds4

About N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide

N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 49024323) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID49024323
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC NameN-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCCC2C2CCCCC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-25(23,24)20-16-12-14(9-10-15(16)19)18(22)21-11-5-8-17(21)13-6-3-2-4-7-13/h9-10,12-13,17,20H,2-8,11H2,1H3
InChIKeySODZWRPMVAVKME-UHFFFAOYSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-piperidin-1-ylsulfonylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47063019
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-chloro-4-hydroxyphenyl)methanone
CID 43422703
N-[2-chloro-5-[(2S,5R)-2,5-dimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 94881292
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-bromo-4-chlorophenyl)methanone
CID 103841864
(2-cyclopentylpyrrolidin-1-yl)-(4-hydrazinyl-3-methylphenyl)methanone
CID 63211657
1-[4-[(2S)-2-cyclopentylpyrrolidine-1-carbonyl]phenyl]ethanone
CID 95334900
N-[5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 119632504
(2-cyclopentylpyrrolidin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 103951831
(2-chloro-5-hydroxyphenyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 106501693
2-(2-cyclopentylpyrrolidine-1-carbonyl)fluoren-9-one
CID 55906672
(2-cyclohexylpyrrolidin-1-yl)-(5,6-dichloro-3-pyridinyl)methanone
CID 61050917

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide (CID 49024323) is N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(C(=O)N2CCCC2C2CCCCC2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is SODZWRPMVAVKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-25(23,24)20-16-12-14(9-10-15(16)19)18(22)21-11-5-8-17(21)13-6-3-2-4-7-13/h9-10,12-13,17,20H,2-8,11H2,1H3.
What are the key properties of N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 384.93 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(2-cyclohexylpyrrolidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 49024323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).