5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile

C13H8ClNOS — CID 91877020

IUPAC5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile
SMILESN#Cc1cc(Sc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C13H8ClNOS/c14-10-1-3-11(4-2-10)17-12-5-6-13(16)9(7-12)8-15/h1-7,16H
InChIKeySPCFTLKMJPXVHH-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.07
Rot. Bonds2

About 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile

5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile (PubChem CID 91877020) has the molecular formula C13H8ClNOS and a molecular weight of 261.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile
PubChem CID91877020
Molecular FormulaC13H8ClNOS
Molecular Weight261.73 g/mol
Exact Mass261.00
IUPAC Name5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile
SMILESN#Cc1cc(Sc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C13H8ClNOS/c14-10-1-3-11(4-2-10)17-12-5-6-13(16)9(7-12)8-15/h1-7,16H
InChIKeySPCFTLKMJPXVHH-UHFFFAOYSA-N
XLogP4.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile (CID 91877020) is 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile is N#Cc1cc(Sc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile?
The InChIKey is SPCFTLKMJPXVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNOS/c14-10-1-3-11(4-2-10)17-12-5-6-13(16)9(7-12)8-15/h1-7,16H.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile?
5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile has a molecular weight of 261.73 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile is sourced from PubChem (CID 91877020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).