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

C15H11ClN2OS — CID 1471746

IUPAC4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c1-20-14-7-2-10(9-17)8-13(14)18-15(19)11-3-5-12(16)6-4-11/h2-8H,1H3,(H,18,19)
InChIKeyNRDGENUOYLCVRC-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.19
Rot. Bonds3

About 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide

4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide (PubChem CID 1471746) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
PubChem CID1471746
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2OS/c1-20-14-7-2-10(9-17)8-13(14)18-15(19)11-3-5-12(16)6-4-11/h2-8H,1H3,(H,18,19)
InChIKeyNRDGENUOYLCVRC-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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Related Compounds

N-[2-(methylsulfanyl)phenyl]benzamide
CID 307228
N-(2-chlorophenyl)-4-(methylsulfonyl)benzamide
CID 2747545
N-(4-chlorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082268
2,4-dichloro-N-[5-cyano-2-(methylsulfanyl)phenyl]benzenecarboxamide
CID 1471745
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-tert-butyl-3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]benzamide
CID 2192292
N-(3-chlorophenyl)-4-(methylsulfonyl)benzamide
CID 2747546
(4-chlorophenyl)-N-(2-sulfanylphenyl)carboxamide
CID 27138051
3-[(4-chlorophenyl)methylsulfanyl]-N-(4-cyanophenyl)benzamide
CID 90237400
3-[(4-chlorophenyl)methylsulfinyl]-N-(4-cyanophenyl)benzamide
CID 90242664

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide (CID 1471746) is 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide is CSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
The InChIKey is NRDGENUOYLCVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-20-14-7-2-10(9-17)8-13(14)18-15(19)11-3-5-12(16)6-4-11/h2-8H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide?
4-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 4-chloro-N-(5-cyano-2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 1471746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).