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

C20H14FN3O3S — CID 109065822

IUPAC3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H14FN3O3S/c21-16-6-10-17(11-7-16)23-20(25)15-2-1-3-19(12-15)28(26,27)24-18-8-4-14(13-22)5-9-18/h1-12,24H,(H,23,25)
InChIKeyIWJTZJZUZOHGLV-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.75
Rot. Bonds5

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

3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide (PubChem CID 109065822) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
PubChem CID109065822
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC Name3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C20H14FN3O3S/c21-16-6-10-17(11-7-16)23-20(25)15-2-1-3-19(12-15)28(26,27)24-18-8-4-14(13-22)5-9-18/h1-12,24H,(H,23,25)
InChIKeyIWJTZJZUZOHGLV-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

N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-(4-cyanophenyl)-3-fluorobenzamide
CID 1122145
N-(3-cyanophenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164276
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134056280
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412
N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide
CID 109063102
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
N-(4-fluorophenyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 27006401
3-cyano-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 9414207
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide (CID 109065822) is 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide is N#Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide?
The InChIKey is IWJTZJZUZOHGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c21-16-6-10-17(11-7-16)23-20(25)15-2-1-3-19(12-15)28(26,27)24-18-8-4-14(13-22)5-9-18/h1-12,24H,(H,23,25).
What are the key properties of 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide?
3-[(4-cyanophenyl)sulfamoyl]-N-(4-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 3-[(4-cyanophenyl)sulfamoyl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 109065822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).