3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide

C15H13Cl2NOS — CID 173164167

IUPAC3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide
SMILESCSc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1C
InChIInChI=1S/C15H13Cl2NOS/c1-9-3-5-11(8-14(9)20-2)18-15(19)10-4-6-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19)
InChIKeyHAKFVGQYTGMJGF-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.28
Rot. Bonds3

About 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide

3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide (PubChem CID 173164167) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide
PubChem CID173164167
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide
SMILESCSc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1C
InChIInChI=1S/C15H13Cl2NOS/c1-9-3-5-11(8-14(9)20-2)18-15(19)10-4-6-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19)
InChIKeyHAKFVGQYTGMJGF-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide (CID 173164167) is 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide is CSc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1C.
What is the InChIKey of 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide?
The InChIKey is HAKFVGQYTGMJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-9-3-5-11(8-14(9)20-2)18-15(19)10-4-6-12(16)13(17)7-10/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide?
3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide has a molecular weight of 326.25 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(4-methyl-3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 173164167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).