2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol

C19H15ClN2O2S — CID 142879648

IUPAC2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol
SMILESO=Nc1ccc(NCc2ccccc2Sc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C19H15ClN2O2S/c20-14-5-8-16(9-6-14)25-19-4-2-1-3-13(19)12-21-17-10-7-15(22-24)11-18(17)23/h1-11,21,23H,12H2
InChIKeyDVDOSVFXMIFHLL-UHFFFAOYSA-N
MW370.86 g/mol
LogP6.21
Rot. Bonds6

About 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol

2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol (PubChem CID 142879648) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol
PubChem CID142879648
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol
SMILESO=Nc1ccc(NCc2ccccc2Sc2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C19H15ClN2O2S/c20-14-5-8-16(9-6-14)25-19-4-2-1-3-13(19)12-21-17-10-7-15(22-24)11-18(17)23/h1-11,21,23H,12H2
InChIKeyDVDOSVFXMIFHLL-UHFFFAOYSA-N
XLogP6.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol?
The IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol (CID 142879648) is 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol?
The canonical SMILES for 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol is O=Nc1ccc(NCc2ccccc2Sc2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol?
The InChIKey is DVDOSVFXMIFHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c20-14-5-8-16(9-6-14)25-19-4-2-1-3-13(19)12-21-17-10-7-15(22-24)11-18(17)23/h1-11,21,23H,12H2.
What are the key properties of 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol?
2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol has a molecular weight of 370.86 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)sulfanylphenyl]methylamino]-5-nitrosophenol is sourced from PubChem (CID 142879648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).