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

C16H15N3O3S — CID 9245616

IUPACN-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H15N3O3S/c1-2-18-23(21,22)15-8-6-13(7-9-15)16(20)19-14-5-3-4-12(10-14)11-17/h3-10,18H,2H2,1H3,(H,19,20)
InChIKeyONONTKCLBMFCPZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.11
Rot. Bonds5

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

N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide (PubChem CID 9245616) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
PubChem CID9245616
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C16H15N3O3S/c1-2-18-23(21,22)15-8-6-13(7-9-15)16(20)19-14-5-3-4-12(10-14)11-17/h3-10,18H,2H2,1H3,(H,19,20)
InChIKeyONONTKCLBMFCPZ-UHFFFAOYSA-N
XLogP2.11
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061321
4-(ethylsulfamoyl)-N-phenylbenzamide
CID 1262046
N-(3-cyanophenyl)-4-(pyridin-3-ylmethylsulfamoyl)benzamide
CID 109060943
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-4-ethoxybenzamide
CID 2707612
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
N-(3,4-dimethylphenyl)-4-(ethylsulfamoyl)benzamide
CID 9416096
4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 9441790
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide (CID 9245616) is N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide?
The InChIKey is ONONTKCLBMFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-18-23(21,22)15-8-6-13(7-9-15)16(20)19-14-5-3-4-12(10-14)11-17/h3-10,18H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide?
N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide has a molecular weight of 329.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 9245616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).