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

C15H10F2N2OS — CID 17469695

IUPACN-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C15H10F2N2OS/c16-15(17)21-13-6-4-11(5-7-13)14(20)19-12-3-1-2-10(8-12)9-18/h1-8,15H,(H,19,20)
InChIKeyGOPSJSRWJMWXQQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.13
Rot. Bonds4

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

N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide (PubChem CID 17469695) has the molecular formula C15H10F2N2OS and a molecular weight of 304.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
PubChem CID17469695
Molecular FormulaC15H10F2N2OS
Molecular Weight304.32 g/mol
Exact Mass304.05
IUPAC NameN-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1
InChIInChI=1S/C15H10F2N2OS/c16-15(17)21-13-6-4-11(5-7-13)14(20)19-12-3-1-2-10(8-12)9-18/h1-8,15H,(H,19,20)
InChIKeyGOPSJSRWJMWXQQ-UHFFFAOYSA-N
XLogP4.13
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
N-(3-cyanophenyl)-4-propan-2-ylbenzamide
CID 2552298
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
4-(difluoromethylsulfanyl)-N-(3-ethylphenyl)benzamide
CID 24616145
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 51339145
N-(3-cyanophenyl)-4-(2-fluoroanilino)sulfanylbenzamide
CID 170976944
N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
N-(3-cyanophenyl)-4-(iodomethyl)benzamide
CID 91264729

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide?
The IUPAC name of N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide (CID 17469695) is N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide is N#Cc1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1.
What is the InChIKey of N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide?
The InChIKey is GOPSJSRWJMWXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2OS/c16-15(17)21-13-6-4-11(5-7-13)14(20)19-12-3-1-2-10(8-12)9-18/h1-8,15H,(H,19,20).
What are the key properties of N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide?
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide has a molecular weight of 304.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide is sourced from PubChem (CID 17469695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).