N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide

C18H19N3O3S — CID 3241048

IUPACN-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-21(4-2)25(23,24)17-7-5-6-15(12-17)18(22)20-16-10-8-14(13-19)9-11-16/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyPBZGMFGPYPOYBY-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.84
Rot. Bonds6

About N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide

N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide (PubChem CID 3241048) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
PubChem CID3241048
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-21(4-2)25(23,24)17-7-5-6-15(12-17)18(22)20-16-10-8-14(13-19)9-11-16/h5-12H,3-4H2,1-2H3,(H,20,22)
InChIKeyPBZGMFGPYPOYBY-UHFFFAOYSA-N
XLogP2.84
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide (CID 3241048) is N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide?
The InChIKey is PBZGMFGPYPOYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-21(4-2)25(23,24)17-7-5-6-15(12-17)18(22)20-16-10-8-14(13-19)9-11-16/h5-12H,3-4H2,1-2H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide?
N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide has a molecular weight of 357.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 3241048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).