N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C17H24N2O4S — CID 100579283

IUPACN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H24N2O4S/c1-18(15-5-2-3-6-16(15)20)24(22,23)14-10-8-13(9-11-14)19-12-4-7-17(19)21/h8-11,15-16,20H,2-7,12H2,1H3/t15-,16+/m0/s1
InChIKeyLISGXPNXSVPKAK-JKSUJKDBSA-N
MW352.46 g/mol
LogP1.74
Rot. Bonds4

About N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 100579283) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID100579283
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C17H24N2O4S/c1-18(15-5-2-3-6-16(15)20)24(22,23)14-10-8-13(9-11-14)19-12-4-7-17(19)21/h8-11,15-16,20H,2-7,12H2,1H3/t15-,16+/m0/s1
InChIKeyLISGXPNXSVPKAK-JKSUJKDBSA-N
XLogP1.74
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[4-(methylamino-methylidene-oxo-λ6-sulfanyl)phenyl]pyrrolidin-2-one
CID 144718522
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
1-[4-(hydroxymethylsulfonyl)phenyl]pyrrolidin-2-one
CID 736863
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
N-[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 98137665
N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31111887
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide
CID 60606661
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41024792
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413753

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 100579283) is N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is LISGXPNXSVPKAK-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-18(15-5-2-3-6-16(15)20)24(22,23)14-10-8-13(9-11-14)19-12-4-7-17(19)21/h8-11,15-16,20H,2-7,12H2,1H3/t15-,16+/m0/s1.
What are the key properties of N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 352.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 100579283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).