4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine

C17H13ClN2S — CID 163248365

IUPAC4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine
SMILESClc1cc(NSc2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C17H13ClN2S/c18-14-11-16(13-7-3-1-4-8-13)19-17(12-14)20-21-15-9-5-2-6-10-15/h1-12H,(H,19,20)
InChIKeyASWQKHARKDOJSU-UHFFFAOYSA-N
MW312.83 g/mol
LogP5.52
Rot. Bonds4

About 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine

4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine (PubChem CID 163248365) has the molecular formula C17H13ClN2S and a molecular weight of 312.83 g/mol. Its IUPAC name is 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine.

Molecular Properties

Compound Name4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine
PubChem CID163248365
Molecular FormulaC17H13ClN2S
Molecular Weight312.83 g/mol
Exact Mass312.05
IUPAC Name4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine
SMILESClc1cc(NSc2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C17H13ClN2S/c18-14-11-16(13-7-3-1-4-8-13)19-17(12-14)20-21-15-9-5-2-6-10-15/h1-12H,(H,19,20)
InChIKeyASWQKHARKDOJSU-UHFFFAOYSA-N
XLogP5.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.83
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine?
The IUPAC name of 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine (CID 163248365) is 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine.
What is the SMILES notation for 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine?
The canonical SMILES for 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine is Clc1cc(NSc2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine?
The InChIKey is ASWQKHARKDOJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2S/c18-14-11-16(13-7-3-1-4-8-13)19-17(12-14)20-21-15-9-5-2-6-10-15/h1-12H,(H,19,20).
What are the key properties of 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine?
4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine has a molecular weight of 312.83 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenyl-N-phenylsulfanylpyridin-2-amine is sourced from PubChem (CID 163248365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).