2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide

C15H10Cl2N2OS — CID 1471745

IUPAC2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2OS/c1-21-14-5-2-9(8-18)6-13(14)19-15(20)11-4-3-10(16)7-12(11)17/h2-7H,1H3,(H,19,20)
InChIKeyWFTCKUMGYLMESQ-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.84
Rot. Bonds3

About 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide

2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide (PubChem CID 1471745) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
PubChem CID1471745
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl2N2OS/c1-21-14-5-2-9(8-18)6-13(14)19-15(20)11-4-3-10(16)7-12(11)17/h2-7H,1H3,(H,19,20)
InChIKeyWFTCKUMGYLMESQ-UHFFFAOYSA-N
XLogP4.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-cyano-2-(methylsulfanyl)phenyl]-2-methylbenzenecarboxamide
CID 1471753
3-Chloro-N-(5-cyano-2-(methylsulfanyl)phenyl)benzenecarboxamide
CID 1471768
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide
CID 1471787
N-[2-(2,4-dichlorophenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 4857980
N-(5-Cyano-2-(methylsulfanyl)phenyl)benzenecarboxamide
CID 1471767
4-chloro-N-[5-cyano-2-(methylsulfanyl)phenyl]benzenecarboxamide
CID 1471746
3-chloro-N-{5-cyano-2-[(2,6-dichlorophenyl)sulfanyl]phenyl}benzenecarboxamide
CID 2767416
2-chloro-6-fluoro-N-(2-methylsulfanylphenyl)benzamide
CID 17173241
2,4-dichloro-N-(4-(methylsulfonyl)phenyl)benzamide
CID 41528294
4-Chloro-N-[4-(methylthio)phenyl]benzamide
CID 306482
4-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 803985
2-Chloro-N-(3-cyano-4-(methylsulfonyl)phenyl)-4,5-difluorobenzenecarboxamide
CID 2769249

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide (CID 1471745) is 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide is CSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The InChIKey is WFTCKUMGYLMESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c1-21-14-5-2-9(8-18)6-13(14)19-15(20)11-4-3-10(16)7-12(11)17/h2-7H,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide has a molecular weight of 337.23 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 1471745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).