3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide

C24H22F2N2O3S — CID 24656984

IUPAC3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H22F2N2O3S/c25-22-12-11-20(14-23(22)26)32(30,31)27-15-19-4-1-2-5-21(19)18-9-7-17(8-10-18)16-28-13-3-6-24(28)29/h1-2,4-5,7-12,14,27H,3,6,13,15-16H2
InChIKeyZBUMLWDHKMGMOP-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.23
Rot. Bonds7

About 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide

3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide (PubChem CID 24656984) has the molecular formula C24H22F2N2O3S and a molecular weight of 456.51 g/mol. Its IUPAC name is 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
PubChem CID24656984
Molecular FormulaC24H22F2N2O3S
Molecular Weight456.51 g/mol
Exact Mass456.13
IUPAC Name3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
SMILESO=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C24H22F2N2O3S/c25-22-12-11-20(14-23(22)26)32(30,31)27-15-19-4-1-2-5-21(19)18-9-7-17(8-10-18)16-28-13-3-6-24(28)29/h1-2,4-5,7-12,14,27H,3,6,13,15-16H2
InChIKeyZBUMLWDHKMGMOP-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide with MolForge

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Related Compounds

2-oxo-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]chromene-6-sulfonamide
CID 24677975
2,4,6-trimethyl-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 24656982
N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]ethenesulfonamide
CID 167821614
2,5-dichloro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzamide
CID 47020894
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 34108495
4-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 53278552
1-[[4-[2-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]phenyl]phenyl]methyl]pyrrolidin-2-one
CID 51113304
4-methoxy-3-methyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
CID 99580883
1-(3,4-difluorophenyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]thiourea
CID 100711673
1-[[2-[(benzylsulfamoylamino)methyl]phenyl]methyl]pyrrolidin-2-one
CID 56903516
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
3-chloro-4-methyl-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 47062838

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide (CID 24656984) is 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide is O=C1CCCN1Cc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is ZBUMLWDHKMGMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O3S/c25-22-12-11-20(14-23(22)26)32(30,31)27-15-19-4-1-2-5-21(19)18-9-7-17(8-10-18)16-28-13-3-6-24(28)29/h1-2,4-5,7-12,14,27H,3,6,13,15-16H2.
What are the key properties of 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide?
3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 456.51 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[2-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 24656984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).