3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide

C21H16ClN3O3S — CID 75593280

IUPAC3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-25(19-11-7-17(22)8-12-19)29(27,28)20-4-2-3-16(13-20)21(26)24-18-9-5-15(14-23)6-10-18/h2-13H,1H3,(H,24,26)
InChIKeyDBRNUXKHLDJKNE-UHFFFAOYSA-N
MW425.90 g/mol
LogP4.29
Rot. Bonds5

About 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide

3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide (PubChem CID 75593280) has the molecular formula C21H16ClN3O3S and a molecular weight of 425.90 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide
PubChem CID75593280
Molecular FormulaC21H16ClN3O3S
Molecular Weight425.90 g/mol
Exact Mass425.06
IUPAC Name3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C21H16ClN3O3S/c1-25(19-11-7-17(22)8-12-19)29(27,28)20-4-2-3-16(13-20)21(26)24-18-9-5-15(14-23)6-10-18/h2-13H,1H3,(H,24,26)
InChIKeyDBRNUXKHLDJKNE-UHFFFAOYSA-N
XLogP4.29
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.90
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
CID 3241048
4-[(3-Chlorophenyl)sulfamoyl]-~{n}-(Phenylmethyl)-~{n}-Propyl-Benzamide
CID 126970809
N-(2-chlorobenzyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1019165
4-{[N-(4-chlorobenzyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1020207
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-methylphenyl)benzamide
CID 1521223
N-{2-[(allylamino)carbonyl]phenyl}-3-(anilinosulfonyl)-4-chlorobenzamide
CID 2237563
N-[4-(benzenesulfonamido)phenyl]-2-chlorobenzamide
CID 2311681
N-(4-chlorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 877170
4-[benzyl(methylsulfonyl)amino]-N-(4-chlorophenyl)benzamide
CID 1106277
N-(3-chlorophenyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
CID 1216383
N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226824
2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 1362650

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide (CID 75593280) is 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide?
The InChIKey is DBRNUXKHLDJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3S/c1-25(19-11-7-17(22)8-12-19)29(27,28)20-4-2-3-16(13-20)21(26)24-18-9-5-15(14-23)6-10-18/h2-13H,1H3,(H,24,26).
What are the key properties of 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide?
3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide has a molecular weight of 425.90 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-cyanophenyl)benzamide is sourced from PubChem (CID 75593280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).