N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide

C17H17N3O3S — CID 26698371

IUPACN-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12(2)20-24(22,23)16-9-5-14(6-10-16)17(21)19-15-7-3-13(11-18)4-8-15/h3-10,12,20H,1-2H3,(H,19,21)
InChIKeyDXXSUWXMBMOMAS-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.50
Rot. Bonds5

About N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 26698371) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID26698371
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C17H17N3O3S/c1-12(2)20-24(22,23)16-9-5-14(6-10-16)17(21)19-15-7-3-13(11-18)4-8-15/h3-10,12,20H,1-2H3,(H,19,21)
InChIKeyDXXSUWXMBMOMAS-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-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
N-(4-methoxyphenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 25400706
4-(2-methoxyethoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17353518
4-(butylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109058795
N-(4-cyanophenyl)-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 26699329
4-(benzylsulfamoyl)-N-(4-cyanophenyl)benzamide
CID 109060608
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[4-(cyanomethyl)phenyl]benzamide
CID 9260879
N-[4-(propan-2-ylsulfamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260747
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 26698371) is N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is DXXSUWXMBMOMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12(2)20-24(22,23)16-9-5-14(6-10-16)17(21)19-15-7-3-13(11-18)4-8-15/h3-10,12,20H,1-2H3,(H,19,21).
What are the key properties of N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(4-cyanophenyl)-4-(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-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 26698371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).