2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile

C12H11ClFNOS — CID 115477472

IUPAC2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFNOS/c13-10-6-9(4-5-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3H2
InChIKeyCOYJSAHVVUDKLO-UHFFFAOYSA-N
MW271.74 g/mol
LogP3.28
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile

2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile (PubChem CID 115477472) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile
PubChem CID115477472
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile
SMILESN#CC1CCCC1S(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H11ClFNOS/c13-10-6-9(4-5-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3H2
InChIKeyCOYJSAHVVUDKLO-UHFFFAOYSA-N
XLogP3.28
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)sulfinylcyclohexane-1-carbonitrile
CID 64690873
[2-(3-chloro-4-fluorophenyl)sulfinylcyclopentyl]methanamine
CID 115477506
2-(4-fluorophenyl)sulfinylcycloheptane-1-carbonitrile
CID 64691072
[2-(3-chloro-4-fluorophenyl)sulfinylcycloheptyl]methanamine
CID 115477515
2-(2,3-dihydro-1H-inden-5-ylsulfinyl)cycloheptane-1-carbonitrile
CID 64691096
2-(4-methylsulfonylphenyl)sulfinylcyclopentane-1-carbonitrile
CID 64697763
2-(3-chloro-4-fluoroanilino)cyclopentane-1-carbonitrile
CID 83107962
2-(3-chloro-4-fluorophenyl)sulfonylcyclopentane-1-carbonitrile
CID 64691826
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentan-1-one
CID 115477455
5-(3-chloro-4-fluorophenyl)sulfinyl-2,2-dimethylcyclopentan-1-amine
CID 115477293
3-(3-chloro-4-fluorophenyl)sulfinyl-2-methyl-N-propylcyclopentan-1-amine
CID 115477312
[2-(3,4-dichlorophenyl)sulfinylcyclopentyl]methanamine
CID 81333789

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile (CID 115477472) is 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile is N#CC1CCCC1S(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile?
The InChIKey is COYJSAHVVUDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c13-10-6-9(4-5-11(10)14)17(16)12-3-1-2-8(12)7-15/h4-6,8,12H,1-3H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile?
2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile has a molecular weight of 271.74 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfinylcyclopentane-1-carbonitrile is sourced from PubChem (CID 115477472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).