4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide

C26H20F2N2O3S — CID 1297380

IUPAC4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H20F2N2O3S/c27-24-16-15-21(17-25(24)28)29-26(31)20-13-11-19(12-14-20)18-30(22-7-3-1-4-8-22)34(32,33)23-9-5-2-6-10-23/h1-17H,18H2,(H,29,31)
InChIKeyFKBPJIRADGQSMO-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.61
Rot. Bonds7

About 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide

4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide (PubChem CID 1297380) has the molecular formula C26H20F2N2O3S and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
PubChem CID1297380
Molecular FormulaC26H20F2N2O3S
Molecular Weight478.52 g/mol
Exact Mass478.12
IUPAC Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H20F2N2O3S/c27-24-16-15-21(17-25(24)28)29-26(31)20-13-11-19(12-14-20)18-30(22-7-3-1-4-8-22)34(32,33)23-9-5-2-6-10-23/h1-17H,18H2,(H,29,31)
InChIKeyFKBPJIRADGQSMO-UHFFFAOYSA-N
XLogP5.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
N-(3,4-difluorophenyl)-3-[ethyl(phenyl)sulfamoyl]benzamide
CID 9165805
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]-4-chlorobenzamide
CID 66714993
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 92679889
N-[4-[[N-(benzenesulfonyl)-3,4-dimethylanilino]methyl]phenyl]benzamide
CID 66715371
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
3-[benzenesulfonyl(benzyl)amino]-N-(4-carbamoylphenyl)benzamide
CID 68619894
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
CID 21372436
N-(3,4-difluorophenyl)-4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 53280605
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
CID 126271468
4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
CID 4239264

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide (CID 1297380) is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide?
The InChIKey is FKBPJIRADGQSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O3S/c27-24-16-15-21(17-25(24)28)29-26(31)20-13-11-19(12-14-20)18-30(22-7-3-1-4-8-22)34(32,33)23-9-5-2-6-10-23/h1-17H,18H2,(H,29,31).
What are the key properties of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide?
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide has a molecular weight of 478.52 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide is sourced from PubChem (CID 1297380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).