4-[(2,6-difluorophenyl)sulfonylamino]benzamide

C13H10F2N2O3S — CID 4880807

IUPAC4-[(2,6-difluorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C13H10F2N2O3S/c14-10-2-1-3-11(15)12(10)21(19,20)17-9-6-4-8(5-7-9)13(16)18/h1-7,17H,(H2,16,18)
InChIKeyWBASXFZOLUWKCF-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.86
Rot. Bonds4

About 4-[(2,6-difluorophenyl)sulfonylamino]benzamide

4-[(2,6-difluorophenyl)sulfonylamino]benzamide (PubChem CID 4880807) has the molecular formula C13H10F2N2O3S and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)sulfonylamino]benzamide
PubChem CID4880807
Molecular FormulaC13H10F2N2O3S
Molecular Weight312.30 g/mol
Exact Mass312.04
IUPAC Name4-[(2,6-difluorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C13H10F2N2O3S/c14-10-2-1-3-11(15)12(10)21(19,20)17-9-6-4-8(5-7-9)13(16)18/h1-7,17H,(H2,16,18)
InChIKeyWBASXFZOLUWKCF-UHFFFAOYSA-N
XLogP1.86
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N-(3-acetylphenyl)-2,6-difluorobenzenesulfonamide
CID 3836983
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
[(2,6-difluorophenyl)sulfonylamino]urea
CID 140574542
2,6-difluoro-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35540385
4-[(3-amino-4-fluorophenyl)sulfamoyl]benzamide
CID 43604881
3-[2-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68689417
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
N-(3,4-dimethylphenyl)-2,6-difluorobenzenesulfonamide
CID 4793269
methyl 5-[(2,6-difluorophenyl)sulfonylamino]-2-fluorobenzoate
CID 33490699
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)sulfonylamino]benzamide?
The IUPAC name of 4-[(2,6-difluorophenyl)sulfonylamino]benzamide (CID 4880807) is 4-[(2,6-difluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 4-[(2,6-difluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 4-[(2,6-difluorophenyl)sulfonylamino]benzamide is NC(=O)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 4-[(2,6-difluorophenyl)sulfonylamino]benzamide?
The InChIKey is WBASXFZOLUWKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3S/c14-10-2-1-3-11(15)12(10)21(19,20)17-9-6-4-8(5-7-9)13(16)18/h1-7,17H,(H2,16,18).
What are the key properties of 4-[(2,6-difluorophenyl)sulfonylamino]benzamide?
4-[(2,6-difluorophenyl)sulfonylamino]benzamide has a molecular weight of 312.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4880807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).