3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile

C13H7Cl2NOS — CID 69077494

IUPAC3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile
SMILESN#Cc1cc(Cl)cc(Sc2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H7Cl2NOS/c14-9-1-2-12(17)13(6-9)18-11-4-8(7-16)3-10(15)5-11/h1-6,17H
InChIKeySUEHTBAGYFEMIB-UHFFFAOYSA-N
MW296.18 g/mol
LogP4.72
Rot. Bonds2

About 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile

3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile (PubChem CID 69077494) has the molecular formula C13H7Cl2NOS and a molecular weight of 296.18 g/mol. Its IUPAC name is 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile
PubChem CID69077494
Molecular FormulaC13H7Cl2NOS
Molecular Weight296.18 g/mol
Exact Mass294.96
IUPAC Name3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile
SMILESN#Cc1cc(Cl)cc(Sc2cc(Cl)ccc2O)c1
InChIInChI=1S/C13H7Cl2NOS/c14-9-1-2-12(17)13(6-9)18-11-4-8(7-16)3-10(15)5-11/h1-6,17H
InChIKeySUEHTBAGYFEMIB-UHFFFAOYSA-N
XLogP4.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea
CID 146661586
3-bromo-5-(3-chlorophenyl)sulfanylbenzonitrile
CID 102818471
4-chloro-2-methylsulfanylphenol
CID 13199339
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256
3-chloro-4-(4-chlorophenyl)sulfanylbenzonitrile
CID 63538752
5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile
CID 91877020
2-(4-chlorophenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10516242
4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzonitrile
CID 43657535
4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 87547766
4-hydroxy-3-methylsulfanylbenzonitrile
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3-(5-chloro-2-hydroxyphenyl)-4-methoxybenzonitrile
CID 106951592

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile?
The IUPAC name of 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile (CID 69077494) is 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile.
What is the SMILES notation for 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile?
The canonical SMILES for 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile is N#Cc1cc(Cl)cc(Sc2cc(Cl)ccc2O)c1.
What is the InChIKey of 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile?
The InChIKey is SUEHTBAGYFEMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NOS/c14-9-1-2-12(17)13(6-9)18-11-4-8(7-16)3-10(15)5-11/h1-6,17H.
What are the key properties of 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile?
3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile has a molecular weight of 296.18 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile is sourced from PubChem (CID 69077494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).