4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile

C14H9ClFNOS — CID 64692080

IUPAC4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(CS(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H9ClFNOS/c15-12-3-5-13(6-4-12)19(18)9-11-2-1-10(8-17)7-14(11)16/h1-7H,9H2
InChIKeyVLTSKNLXPXDFOI-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.66
Rot. Bonds3

About 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile

4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile (PubChem CID 64692080) has the molecular formula C14H9ClFNOS and a molecular weight of 293.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile
PubChem CID64692080
Molecular FormulaC14H9ClFNOS
Molecular Weight293.75 g/mol
Exact Mass293.01
IUPAC Name4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile
SMILESN#Cc1ccc(CS(=O)c2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C14H9ClFNOS/c15-12-3-5-13(6-4-12)19(18)9-11-2-1-10(8-17)7-14(11)16/h1-7H,9H2
InChIKeyVLTSKNLXPXDFOI-UHFFFAOYSA-N
XLogP3.66
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[(4-fluorophenyl)sulfinylmethyl]benzonitrile
CID 64691282
4-(benzenesulfinylmethyl)-3-fluorobenzonitrile
CID 64690863
3-fluoro-4-[(4-propan-2-ylphenyl)sulfinylmethyl]benzonitrile
CID 64692306
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]-5-fluorobenzonitrile
CID 115477489
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-3-fluorobenzonitrile
CID 60703914
4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 114842499
3-fluoro-4-(phosphorosomethyl)benzonitrile
CID 21336694
3-[(3-chloro-4-fluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 115477488
4-[(4-chloro-2-cyanoanilino)methyl]-3-fluorobenzonitrile
CID 63359487
3-[(3-amino-2-pyridinyl)sulfinylmethyl]-4-fluorobenzonitrile
CID 61369050
4-[(6-chloro-3-fluoro-2-pyridinyl)sulfanylmethyl]-3-fluorobenzonitrile
CID 166782421
4-[3-(4-chlorophenyl)sulfinylpropoxy]benzonitrile
CID 64690860

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile?
The IUPAC name of 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile (CID 64692080) is 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile?
The canonical SMILES for 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile is N#Cc1ccc(CS(=O)c2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile?
The InChIKey is VLTSKNLXPXDFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNOS/c15-12-3-5-13(6-4-12)19(18)9-11-2-1-10(8-17)7-14(11)16/h1-7H,9H2.
What are the key properties of 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile?
4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile has a molecular weight of 293.75 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfinylmethyl]-3-fluorobenzonitrile is sourced from PubChem (CID 64692080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).