N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide

C17H17N3O3S — CID 109062122

IUPACN-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H17N3O3S/c1-12(2)20-24(22,23)15-8-5-7-13(10-15)17(21)19-16-9-4-3-6-14(16)11-18/h3-10,12,20H,1-2H3,(H,19,21)
InChIKeyWJIISYJIBVOADG-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.50
Rot. Bonds5

About N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide

N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 109062122) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID109062122
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C17H17N3O3S/c1-12(2)20-24(22,23)15-8-5-7-13(10-15)17(21)19-16-9-4-3-6-14(16)11-18/h3-10,12,20H,1-2H3,(H,19,21)
InChIKeyWJIISYJIBVOADG-UHFFFAOYSA-N
XLogP2.50
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55672416
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004
N-(2-cyanophenyl)-3-(3-methoxypropylsulfamoyl)benzamide
CID 109063792
2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]-N-propylbenzamide
CID 29477109
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-(propan-2-ylsulfamoyl)-N-quinolin-8-ylbenzamide
CID 31309454
N-(2-cyanophenyl)-3-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109064933
3-(propan-2-ylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 35035772

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide (CID 109062122) is N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is WJIISYJIBVOADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12(2)20-24(22,23)15-8-5-7-13(10-15)17(21)19-16-9-4-3-6-14(16)11-18/h3-10,12,20H,1-2H3,(H,19,21).
What are the key properties of N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide?
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 343.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 109062122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).