2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide

C14H11Cl2NOS — CID 24638890

IUPAC2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NOS/c1-19-11-5-6-13(16)12(8-11)14(18)17-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,17,18)
InChIKeyOXVWCLOQJRUJJH-UHFFFAOYSA-N
MW312.22 g/mol
LogP4.97
Rot. Bonds3

About 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide

2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide (PubChem CID 24638890) has the molecular formula C14H11Cl2NOS and a molecular weight of 312.22 g/mol. Its IUPAC name is 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
PubChem CID24638890
Molecular FormulaC14H11Cl2NOS
Molecular Weight312.22 g/mol
Exact Mass310.99
IUPAC Name2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C14H11Cl2NOS/c1-19-11-5-6-13(16)12(8-11)14(18)17-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,17,18)
InChIKeyOXVWCLOQJRUJJH-UHFFFAOYSA-N
XLogP4.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.22
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 34829216
2-chloro-N-(3-chlorophenyl)-5-[methyl(methylsulfanyl)amino]benzamide
CID 146668345
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-chloro-5-methylsulfanylbenzamide
CID 26523987
2-chloro-N-[3-(6-ethylsulfanylpyridazin-3-yl)phenyl]-5-methylsulfanylbenzamide
CID 53154034
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
2-chloro-N-(3-methylsulfanylphenyl)furan-3-carboxamide
CID 106685166
2-amino-3-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 115539942
2-chloro-5-methylsulfanyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 46413072
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379591
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide (CID 24638890) is 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide?
The InChIKey is OXVWCLOQJRUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS/c1-19-11-5-6-13(16)12(8-11)14(18)17-10-4-2-3-9(15)7-10/h2-8H,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide?
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide has a molecular weight of 312.22 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 24638890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).