2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide

C24H24F2N2O2S — CID 6737319

IUPAC2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCN(C1CCN(Cc2ccc(-c3ccccc3)cc2)C1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N2O2S/c1-27(31(29,30)24-12-11-21(25)15-23(24)26)22-13-14-28(17-22)16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15,22H,13-14,16-17H2,1H3
InChIKeyCMPUPYOEPOXTFN-UHFFFAOYSA-N
MW442.53 g/mol
LogP4.53
Rot. Bonds6

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

2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 6737319) has the molecular formula C24H24F2N2O2S and a molecular weight of 442.53 g/mol. Its IUPAC name is 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID6737319
Molecular FormulaC24H24F2N2O2S
Molecular Weight442.53 g/mol
Exact Mass442.15
IUPAC Name2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESCN(C1CCN(Cc2ccc(-c3ccccc3)cc2)C1)S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C24H24F2N2O2S/c1-27(31(29,30)24-12-11-21(25)15-23(24)26)22-13-14-28(17-22)16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15,22H,13-14,16-17H2,1H3
InChIKeyCMPUPYOEPOXTFN-UHFFFAOYSA-N
XLogP4.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
N-(2-chlorocyclohexyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 102638748
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 118521515
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754317
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
4-(chloromethyl)-2-fluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 79177446
(3R)-3-[(2-chloro-5-methylsulfonylphenyl)sulfonylmethyl]-1-[(4-phenylphenyl)methyl]pyrrolidine
CID 161360524
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 53234558
4-bromo-N-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-2-ethyl-N-methylbenzenesulfonamide
CID 6735510
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide (CID 6737319) is 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide is CN(C1CCN(Cc2ccc(-c3ccccc3)cc2)C1)S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is CMPUPYOEPOXTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O2S/c1-27(31(29,30)24-12-11-21(25)15-23(24)26)22-13-14-28(17-22)16-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,15,22H,13-14,16-17H2,1H3.
What are the key properties of 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide?
2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 442.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methyl-N-[1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 6737319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).