2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide

C26H20F2N2O3S — CID 21372596

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H20F2N2O3S/c27-22-15-9-16-23(28)25(22)29-26(31)21-14-7-8-17-24(21)30(18-19-10-3-1-4-11-19)34(32,33)20-12-5-2-6-13-20/h1-17H,18H2,(H,29,31)
InChIKeyQUZCMBCIZYIZJV-UHFFFAOYSA-N
MW478.52 g/mol
LogP5.61
Rot. Bonds7

About 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide

2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide (PubChem CID 21372596) has the molecular formula C26H20F2N2O3S and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
PubChem CID21372596
Molecular FormulaC26H20F2N2O3S
Molecular Weight478.52 g/mol
Exact Mass478.12
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide
SMILESO=C(Nc1c(F)cccc1F)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H20F2N2O3S/c27-22-15-9-16-23(28)25(22)29-26(31)21-14-7-8-17-24(21)30(18-19-10-3-1-4-11-19)34(32,33)20-12-5-2-6-13-20/h1-17H,18H2,(H,29,31)
InChIKeyQUZCMBCIZYIZJV-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

2-[benzenesulfonyl(benzyl)amino]-N-(2-ethyl-6-methylphenyl)benzamide
CID 126139068
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)benzamide
CID 1097903
2-[benzenesulfonyl(benzyl)amino]-N-tert-butylbenzamide
CID 1129961
2-[benzenesulfonyl(benzyl)amino]-N-propan-2-ylbenzamide
CID 1203953
ethyl 2-[[2-[benzenesulfonyl(benzyl)amino]benzoyl]amino]benzoate
CID 1365080
2-[benzenesulfonyl(benzyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519104
2-[benzenesulfonyl(benzyl)amino]-N-(3-methoxypropyl)benzamide
CID 2271284
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-(3-methylphenyl)benzamide
CID 2262005
2-[benzenesulfonyl(benzyl)amino]-N-[(E)-1-(3-iodophenyl)ethylideneamino]benzamide
CID 43878893
2-[benzenesulfonyl(benzyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 28637305
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 1284888
2-[benzenesulfonyl(benzyl)amino]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94015821

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide (CID 21372596) is 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide is O=C(Nc1c(F)cccc1F)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide?
The InChIKey is QUZCMBCIZYIZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O3S/c27-22-15-9-16-23(28)25(22)29-26(31)21-14-7-8-17-24(21)30(18-19-10-3-1-4-11-19)34(32,33)20-12-5-2-6-13-20/h1-17H,18H2,(H,29,31).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide?
2-[benzenesulfonyl(benzyl)amino]-N-(2,6-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 2-[benzenesulfonyl(benzyl)amino]-N-(2,6-difluorophenyl)benzamide is sourced from PubChem (CID 21372596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).