3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide

C15H11ClN2OS — CID 1471768

IUPAC3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2OS/c1-20-14-6-5-10(9-17)7-13(14)18-15(19)11-3-2-4-12(16)8-11/h2-8H,1H3,(H,18,19)
InChIKeyAYBUIDFLNONILH-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.19
Rot. Bonds3

About 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide

3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide (PubChem CID 1471768) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
PubChem CID1471768
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN2OS/c1-20-14-6-5-10(9-17)7-13(14)18-15(19)11-3-2-4-12(16)8-11/h2-8H,1H3,(H,18,19)
InChIKeyAYBUIDFLNONILH-UHFFFAOYSA-N
XLogP4.19
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide (CID 1471768) is 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide is CSc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The InChIKey is AYBUIDFLNONILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-20-14-6-5-10(9-17)7-13(14)18-15(19)11-3-2-4-12(16)8-11/h2-8H,1H3,(H,18,19).
What are the key properties of 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide has a molecular weight of 302.79 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 1471768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).