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

C13H8BrNOS — CID 91877618

IUPAC5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile
SMILESN#Cc1cc(Sc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C13H8BrNOS/c14-10-1-3-11(4-2-10)17-12-5-6-13(16)9(7-12)8-15/h1-7,16H
InChIKeyVHWZPGCYTDXKIN-UHFFFAOYSA-N
MW306.18 g/mol
LogP4.18
Rot. Bonds2

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

5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile (PubChem CID 91877618) has the molecular formula C13H8BrNOS and a molecular weight of 306.18 g/mol. Its IUPAC name is 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile
PubChem CID91877618
Molecular FormulaC13H8BrNOS
Molecular Weight306.18 g/mol
Exact Mass304.95
IUPAC Name5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile
SMILESN#Cc1cc(Sc2ccc(Br)cc2)ccc1O
InChIInChI=1S/C13H8BrNOS/c14-10-1-3-11(4-2-10)17-12-5-6-13(16)9(7-12)8-15/h1-7,16H
InChIKeyVHWZPGCYTDXKIN-UHFFFAOYSA-N
XLogP4.18
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)sulfanyl-2-hydroxybenzonitrile
CID 91877020
2-(4-bromophenyl)sulfanyl-5-hydroxybenzonitrile
CID 91877633
4-bromo-2-(4-hydroxyphenyl)sulfanylbenzonitrile
CID 114906905
2-[5-(4-bromophenyl)sulfanyl-2-hydroxyphenyl]acetic acid
CID 91877621
azane;4-bromo-2-hydroxybenzonitrile
CID 135147435
2-hydroxy-5-(4-methylsulfanylphenyl)benzonitrile
CID 53219996
4-[4-[[4-(3,4-dicyanophenyl)sulfanylphenyl]methyl]phenyl]sulfanylbenzene-1,2-dicarbonitrile
CID 26723151
2-(4-bromophenyl)sulfanyl-5-(trifluoromethyl)benzonitrile
CID 1489517
5-(4-aminophenyl)sulfanyl-2-chlorobenzonitrile
CID 91880333
2-(4-bromophenyl)sulfanylphenol
CID 102267343
5-(3-bromophenyl)sulfanyl-2-nitrobenzonitrile
CID 115501636
2-amino-5-[(5-bromo-2-pyridinyl)sulfanyl]benzonitrile
CID 113324167

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile?
The IUPAC name of 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile (CID 91877618) is 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile?
The canonical SMILES for 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile is N#Cc1cc(Sc2ccc(Br)cc2)ccc1O.
What is the InChIKey of 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile?
The InChIKey is VHWZPGCYTDXKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNOS/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-bromophenyl)sulfanyl-2-hydroxybenzonitrile?
5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile has a molecular weight of 306.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)sulfanyl-2-hydroxybenzonitrile is sourced from PubChem (CID 91877618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).