N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide

C24H22ClN3O3S — CID 55381133

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1
InChIInChI=1S/C24H22ClN3O3S/c1-3-28(4-2)32(30,31)18-13-14-22(25)23(15-18)27-24(29)21-12-8-7-11-20(21)19-10-6-5-9-17(19)16-26/h5-15H,3-4H2,1-2H3,(H,27,29)
InChIKeyXYFIFQTUIQIXTQ-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.16
Rot. Bonds7

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide (PubChem CID 55381133) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
PubChem CID55381133
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1
InChIInChI=1S/C24H22ClN3O3S/c1-3-28(4-2)32(30,31)18-13-14-22(25)23(15-18)27-24(29)21-12-8-7-11-20(21)19-10-6-5-9-17(19)16-26/h5-15H,3-4H2,1-2H3,(H,27,29)
InChIKeyXYFIFQTUIQIXTQ-UHFFFAOYSA-N
XLogP5.16
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenoxy)acetamide
CID 4779757
N-(2-chlorophenyl)-2-(2-cyanophenyl)benzamide
CID 16560997
5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
CID 26187229
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
CID 55752915
2-(2-cyanophenyl)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 55380831
N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2670785
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 112797360
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
CID 5218436
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide (CID 55381133) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2-c2ccccc2C#N)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide?
The InChIKey is XYFIFQTUIQIXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-3-28(4-2)32(30,31)18-13-14-22(25)23(15-18)27-24(29)21-12-8-7-11-20(21)19-10-6-5-9-17(19)16-26/h5-15H,3-4H2,1-2H3,(H,27,29).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide has a molecular weight of 467.98 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide is sourced from PubChem (CID 55381133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).