2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline

C11H8Cl2N2S — CID 2746603

IUPAC2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline
SMILESNc1ccccc1Sc1c(Cl)cncc1Cl
InChIInChI=1S/C11H8Cl2N2S/c12-7-5-15-6-8(13)11(7)16-10-4-2-1-3-9(10)14/h1-6H,14H2
InChIKeyOAIULNWEHMZMIY-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.12
Rot. Bonds2

About 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline

2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline (PubChem CID 2746603) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline.

Molecular Properties

Compound Name2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline
PubChem CID2746603
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC Name2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline
SMILESNc1ccccc1Sc1c(Cl)cncc1Cl
InChIInChI=1S/C11H8Cl2N2S/c12-7-5-15-6-8(13)11(7)16-10-4-2-1-3-9(10)14/h1-6H,14H2
InChIKeyOAIULNWEHMZMIY-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline?
The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline (CID 2746603) is 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline.
What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline?
The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline is Nc1ccccc1Sc1c(Cl)cncc1Cl.
What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline?
The InChIKey is OAIULNWEHMZMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c12-7-5-15-6-8(13)11(7)16-10-4-2-1-3-9(10)14/h1-6H,14H2.
What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline?
2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline has a molecular weight of 271.17 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-4-pyridinyl)sulfanyl]aniline is sourced from PubChem (CID 2746603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).