N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C24H23FN2O3S — CID 31111887

IUPACN-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H23FN2O3S/c1-26(24(18-6-3-2-4-7-18)19-9-11-20(25)12-10-19)31(29,30)22-15-13-21(14-16-22)27-17-5-8-23(27)28/h2-4,6-7,9-16,24H,5,8,17H2,1H3/t24-/m0/s1
InChIKeyMIRBYWWHTNZURQ-DEOSSOPVSA-N
MW438.52 g/mol
LogP4.36
Rot. Bonds6

About N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 31111887) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID31111887
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC NameN-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C24H23FN2O3S/c1-26(24(18-6-3-2-4-7-18)19-9-11-20(25)12-10-19)31(29,30)22-15-13-21(14-16-22)27-17-5-8-23(27)28/h2-4,6-7,9-16,24H,5,8,17H2,1H3/t24-/m0/s1
InChIKeyMIRBYWWHTNZURQ-DEOSSOPVSA-N
XLogP4.36
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 16673900
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide
CID 60606661
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 28954772
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylpropyl]benzenesulfonamide
CID 30386601
(1R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonate
CID 58755397
N-[(R)-(4-fluorophenyl)-phenylmethyl]-N-methyl-2-oxochromene-6-sulfonamide
CID 39983320
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94605999
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110291465
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 24511066
N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30275389

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 31111887) is N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is CN([C@@H](c1ccccc1)c1ccc(F)cc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is MIRBYWWHTNZURQ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c1-26(24(18-6-3-2-4-7-18)19-9-11-20(25)12-10-19)31(29,30)22-15-13-21(14-16-22)27-17-5-8-23(27)28/h2-4,6-7,9-16,24H,5,8,17H2,1H3/t24-/m0/s1.
What are the key properties of N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 438.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 31111887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).