(5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

C17H23NO3S — CID 71659854

IUPAC(5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-16(11-12-17(18)19)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3/t16-/m0/s1
InChIKeySJUDLPBKDMKWET-INIZCTEOSA-N
MW321.44 g/mol
LogP3.26
Rot. Bonds3

About (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one

(5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (PubChem CID 71659854) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
PubChem CID71659854
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC Name(5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C2CCCCC2)cc1
InChIInChI=1S/C17H23NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-16(11-12-17(18)19)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3/t16-/m0/s1
InChIKeySJUDLPBKDMKWET-INIZCTEOSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
1-(p-Toluenesulfonyl)-2-pyrrolidinone
CID 563071
Sulfonamide deriv., 7c
CID 3433937
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
N-ethyl-4-[3-oxo-3-(1-pyrrolidinyl)propyl]benzenesulfonamide
CID 2971751
N-ethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 3161026
2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 3437887
4-cyclohexyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 16294017
Cyclohexyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3874660
4-Phenyl-1-(phenylsulfonyl)pyrrolidin-2-one
CID 3930754
N-cyclopropyl-4-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 5136036

Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one (CID 71659854) is (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C2CCCCC2)cc1.
What is the InChIKey of (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
The InChIKey is SJUDLPBKDMKWET-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23NO3S/c1-13-7-9-15(10-8-13)22(20,21)18-16(11-12-17(18)19)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one?
(5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one has a molecular weight of 321.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclohexyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 71659854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).