N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide

C18H18ClN3O3S — CID 3665777

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C18H18ClN3O3S/c1-3-22(4-2)26(24,25)15-9-10-16(19)17(11-15)21-18(23)14-7-5-13(12-20)6-8-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyGZJTVZHZDPSIJQ-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.49
Rot. Bonds6

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide (PubChem CID 3665777) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide
PubChem CID3665777
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C18H18ClN3O3S/c1-3-22(4-2)26(24,25)15-9-10-16(19)17(11-15)21-18(23)14-7-5-13(12-20)6-8-14/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyGZJTVZHZDPSIJQ-UHFFFAOYSA-N
XLogP3.49
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4338027
2-chloro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4571173
4-chloro-N-(3-sulfamoylphenyl)benzamide
CID 3564294
N-(4-chlorophenyl)-4-(dimethylsulfamoyl)benzamide
CID 877170
N-(3-chlorophenyl)-4-methyl-3-(1-piperidinylsulfonyl)benzamide
CID 1216383
2-chloro-N-(3-cyanophenyl)-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 2084463
N-(2-chlorophenyl)-4-methyl-3-(piperidin-1-ylsulfonyl)benzamide
CID 2600862
N-(2-chlorophenyl)-3-{[ethyl(phenyl)amino]sulfonyl}-4-fluorobenzamide
CID 4216298
N-(4-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 4650747
N-(3-chlorophenyl)-4-(dipropylsulfamoyl)benzamide
CID 4654716
1-(4-chlorobenzoyl)-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 4826818
N-[(4-Chlorophenyl)methyl]-4-[(4-acetamidobenzenesulfonamido)methyl]benzamide
CID 9551229

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide (CID 3665777) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide?
The InChIKey is GZJTVZHZDPSIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-3-22(4-2)26(24,25)15-9-10-16(19)17(11-15)21-18(23)14-7-5-13(12-20)6-8-14/h5-11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-cyanobenzamide has a molecular weight of 391.88 g/mol, XLogP of 3.49, 6 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]-4-cyanobenzamide is sourced from PubChem (CID 3665777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).