1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide

C16H22N2O3S — CID 168719322

IUPAC1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)15-10-16(19)18(11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H2,17,20,21)
InChIKeyPEAUXXUKJPZLBN-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.13
Rot. Bonds3

About 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide

1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168719322) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide
PubChem CID168719322
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)15-10-16(19)18(11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H2,17,20,21)
InChIKeyPEAUXXUKJPZLBN-UHFFFAOYSA-N
XLogP2.13
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-pyridin-4-ylpyrrolidine-3-sulfonamide
CID 168719467
1-(4-ethynylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716761
1-(3,4-dibromophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718706
N-[4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716951
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
S-[1-(4-cyclohexylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707158
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
1-(3-bromo-4-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718709
1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717038
N-ethyl-4-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717045
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide (CID 168719322) is 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is PEAUXXUKJPZLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c17-22(20,21)15-10-16(19)18(11-15)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,15H,1-5,10-11H2,(H2,17,20,21).
What are the key properties of 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide?
1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168719322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).