4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide

C20H14FN3O3S — CID 109061815

IUPAC4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C20H14FN3O3S/c21-16-5-3-6-17(12-16)23-20(25)14-8-10-18(11-9-14)28(26,27)24-19-7-2-1-4-15(19)13-22/h1-12,24H,(H,23,25)
InChIKeyZYRWBILXVQFOMB-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.75
Rot. Bonds5

About 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide

4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (PubChem CID 109061815) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
PubChem CID109061815
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
SMILESN#Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C20H14FN3O3S/c21-16-5-3-6-17(12-16)23-20(25)14-8-10-18(11-9-14)28(26,27)24-19-7-2-1-4-15(19)13-22/h1-12,24H,(H,23,25)
InChIKeyZYRWBILXVQFOMB-UHFFFAOYSA-N
XLogP3.75
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
4-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 26579304
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329
N-(3-fluorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26579550
3-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 78805836
1-N-(4-cyanophenyl)-4-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050204
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049881
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109061734
N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide (CID 109061815) is 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is N#Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
The InChIKey is ZYRWBILXVQFOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-16-5-3-6-17(12-16)23-20(25)14-8-10-18(11-9-14)28(26,27)24-19-7-2-1-4-15(19)13-22/h1-12,24H,(H,23,25).
What are the key properties of 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide?
4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide has a molecular weight of 395.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 109061815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).