2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile

C14H8Cl2FNOS — CID 107909421

IUPAC2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl2FNOS/c15-12-2-1-3-13(16)14(12)20(19)8-10-6-11(17)5-4-9(10)7-18/h1-6H,8H2
InChIKeyBFSCWYSWALEVJX-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.31
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile

2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile (PubChem CID 107909421) has the molecular formula C14H8Cl2FNOS and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile
PubChem CID107909421
Molecular FormulaC14H8Cl2FNOS
Molecular Weight328.20 g/mol
Exact Mass326.97
IUPAC Name2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)cc1CS(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H8Cl2FNOS/c15-12-2-1-3-13(16)14(12)20(19)8-10-6-11(17)5-4-9(10)7-18/h1-6H,8H2
InChIKeyBFSCWYSWALEVJX-UHFFFAOYSA-N
XLogP4.31
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[(3-methylphenyl)sulfinylmethyl]benzonitrile
CID 107909404
2-[(3,4-difluorophenyl)sulfinylmethyl]-4-fluorobenzonitrile
CID 107909381
4-fluoro-2-[(3-methoxyphenyl)sulfinylmethyl]benzonitrile
CID 107909363
3-[(2,6-dichlorophenyl)sulfinylmethyl]-5-fluorobenzonitrile
CID 115477749
2-[(4-amino-2-bromophenyl)sulfinylmethyl]-4-fluorobenzonitrile
CID 107909649
2-[(4-amino-3-methylphenyl)sulfinylmethyl]-4-fluorobenzonitrile
CID 107909576
2-[(2,4-difluorophenyl)sulfinylmethyl]benzonitrile
CID 64689687
2-[(2-bromo-4-fluorophenyl)methylsulfinyl]-3-chloroaniline
CID 81185478
2-chloro-6-[(2-cyano-5-fluorophenyl)methoxy]benzoic acid
CID 107905985
(2-cyano-5-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 103760870
2-(1-aminopropan-2-ylsulfinylmethyl)-4-fluorobenzonitrile
CID 107909602
2-[(2-cyano-5-fluorophenyl)methylsulfinyl]propanoic acid
CID 107906923

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile (CID 107909421) is 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile is N#Cc1ccc(F)cc1CS(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile?
The InChIKey is BFSCWYSWALEVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FNOS/c15-12-2-1-3-13(16)14(12)20(19)8-10-6-11(17)5-4-9(10)7-18/h1-6H,8H2.
What are the key properties of 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile?
2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile has a molecular weight of 328.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfinylmethyl]-4-fluorobenzonitrile is sourced from PubChem (CID 107909421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).