3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine

C12H8Cl4N2S — CID 102761528

IUPAC3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2S/c1-17-11-9(15)5-10(16)12(18-11)19-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,17,18)
InChIKeyMKSQDZSCJWNOJL-UHFFFAOYSA-N
MW354.09 g/mol
LogP5.89
Rot. Bonds3

About 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine

3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine (PubChem CID 102761528) has the molecular formula C12H8Cl4N2S and a molecular weight of 354.09 g/mol. Its IUPAC name is 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
PubChem CID102761528
Molecular FormulaC12H8Cl4N2S
Molecular Weight354.09 g/mol
Exact Mass351.92
IUPAC Name3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine
SMILESCNc1nc(Sc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl4N2S/c1-17-11-9(15)5-10(16)12(18-11)19-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,17,18)
InChIKeyMKSQDZSCJWNOJL-UHFFFAOYSA-N
XLogP5.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.09
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine (CID 102761528) is 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine is CNc1nc(Sc2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine?
The InChIKey is MKSQDZSCJWNOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl4N2S/c1-17-11-9(15)5-10(16)12(18-11)19-6-2-3-7(13)8(14)4-6/h2-5H,1H3,(H,17,18).
What are the key properties of 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine?
3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine has a molecular weight of 354.09 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3,4-dichlorophenyl)sulfanyl-N-methylpyridin-2-amine is sourced from PubChem (CID 102761528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).