N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide

C14H12ClNO2S — CID 892355

IUPACN-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H12ClNO2S/c15-10-6-7-13(17)12(8-10)16-14(18)9-19-11-4-2-1-3-5-11/h1-8,17H,9H2,(H,16,18)
InChIKeyZTYHFTWFJMEQBV-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.78
Rot. Bonds4

About N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide

N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide (PubChem CID 892355) has the molecular formula C14H12ClNO2S and a molecular weight of 293.77 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide
PubChem CID892355
Molecular FormulaC14H12ClNO2S
Molecular Weight293.77 g/mol
Exact Mass293.03
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C14H12ClNO2S/c15-10-6-7-13(17)12(8-10)16-14(18)9-19-11-4-2-1-3-5-11/h1-8,17H,9H2,(H,16,18)
InChIKeyZTYHFTWFJMEQBV-UHFFFAOYSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide (CID 892355) is N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide?
The InChIKey is ZTYHFTWFJMEQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2S/c15-10-6-7-13(17)12(8-10)16-14(18)9-19-11-4-2-1-3-5-11/h1-8,17H,9H2,(H,16,18).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide?
N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide has a molecular weight of 293.77 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 892355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).