3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide

C17H17N3O3S — CID 8893485

IUPAC3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H17N3O3S/c1-12-7-8-15(10-16(12)24(22,23)20(2)3)19-17(21)14-6-4-5-13(9-14)11-18/h4-10H,1-3H3,(H,19,21)
InChIKeyWDYCZOHADPUTPZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.37
Rot. Bonds4

About 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide

3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide (PubChem CID 8893485) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
PubChem CID8893485
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H17N3O3S/c1-12-7-8-15(10-16(12)24(22,23)20(2)3)19-17(21)14-6-4-5-13(9-14)11-18/h4-10H,1-3H3,(H,19,21)
InChIKeyWDYCZOHADPUTPZ-UHFFFAOYSA-N
XLogP2.37
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 17397410
3-cyano-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115377455
N-(3-amino-4-methylphenyl)-3-cyanobenzamide
CID 24707349
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-methyl-3-nitrobenzamide
CID 25435478
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-ethoxybenzamide
CID 3635933
4-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-sulfamoylbenzamide
CID 24635521
methyl 4-[[3-(dimethylsulfamoyl)-4-methylbenzoyl]amino]benzoate
CID 110295930
3-cyano-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 2649522
3-cyano-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 2635737
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
1-N-(3-cyanophenyl)-3-N-(2,5-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057187

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The IUPAC name of 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide (CID 8893485) is 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
The InChIKey is WDYCZOHADPUTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-7-8-15(10-16(12)24(22,23)20(2)3)19-17(21)14-6-4-5-13(9-14)11-18/h4-10H,1-3H3,(H,19,21).
What are the key properties of 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide?
3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide has a molecular weight of 343.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide is sourced from PubChem (CID 8893485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).