4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide

C14H13FN2O3S — CID 60755899

IUPAC4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O3S/c1-16-21(19,20)13-4-2-3-12(9-13)17-14(18)10-5-7-11(15)8-6-10/h2-9,16H,1H3,(H,17,18)
InChIKeyHJEQOCYIOOKYEQ-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.99
Rot. Bonds4

About 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide

4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide (PubChem CID 60755899) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
PubChem CID60755899
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C14H13FN2O3S/c1-16-21(19,20)13-4-2-3-12(9-13)17-14(18)10-5-7-11(15)8-6-10/h2-9,16H,1H3,(H,17,18)
InChIKeyHJEQOCYIOOKYEQ-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methylsulfamoyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763936
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide
CID 7986670
N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
N-[3-(4-tert-butylbenzoyl)phenyl]-3-(methylsulfamoyl)benzamide
CID 100621284
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
4-(methylsulfamoyl)-N-(3-nitrophenyl)benzamide
CID 29200413
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
methyl 4-[[3-(methylsulfamoyl)benzoyl]amino]benzoate
CID 26583048
5-bromo-N-[3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 47175858
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide (CID 60755899) is 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is HJEQOCYIOOKYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-16-21(19,20)13-4-2-3-12(9-13)17-14(18)10-5-7-11(15)8-6-10/h2-9,16H,1H3,(H,17,18).
What are the key properties of 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide?
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 308.33 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 60755899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).