2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile

C13H7ClFNS — CID 62946841

IUPAC2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccc(Sc2ccccc2F)cc1Cl
InChIInChI=1S/C13H7ClFNS/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H
InChIKeyQBHUAHPQLMZSHA-UHFFFAOYSA-N
MW263.72 g/mol
LogP4.50
Rot. Bonds2

About 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile

2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile (PubChem CID 62946841) has the molecular formula C13H7ClFNS and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile.

Molecular Properties

Compound Name2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile
PubChem CID62946841
Molecular FormulaC13H7ClFNS
Molecular Weight263.72 g/mol
Exact Mass263.00
IUPAC Name2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile
SMILESN#Cc1ccc(Sc2ccccc2F)cc1Cl
InChIInChI=1S/C13H7ClFNS/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H
InChIKeyQBHUAHPQLMZSHA-UHFFFAOYSA-N
XLogP4.50
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-naphthalen-2-ylsulfanylbenzonitrile
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[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
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4-(2-chlorophenyl)sulfanyl-2-methylbenzonitrile
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2-chloro-4-(3-hydroxyphenyl)sulfanylbenzonitrile
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2-chloro-6-(2-fluorophenyl)sulfanylbenzonitrile
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2-chloro-4-(2-fluorophenyl)benzonitrile
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2-chloro-4-(4-nitrophenyl)sulfanylbenzonitrile
CID 62948505
2-(4-chlorophenyl)sulfanylbenzene-1,4-dicarbonitrile
CID 10516242
4-(2,5-difluorophenyl)sulfanyl-2-methylbenzonitrile
CID 81282783
4-(4-chloro-3-fluorophenyl)sulfanylbenzonitrile
CID 91876795
2-chloro-4-(4-methylsulfanylphenyl)benzonitrile
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4-(2-fluorophenyl)sulfanylphenol
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile?
The IUPAC name of 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile (CID 62946841) is 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile.
What is the SMILES notation for 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile?
The canonical SMILES for 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile is N#Cc1ccc(Sc2ccccc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile?
The InChIKey is QBHUAHPQLMZSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNS/c14-11-7-10(6-5-9(11)8-16)17-13-4-2-1-3-12(13)15/h1-7H.
What are the key properties of 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile?
2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile has a molecular weight of 263.72 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluorophenyl)sulfanylbenzonitrile is sourced from PubChem (CID 62946841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).