2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride

C14H9ClFNO3S — CID 82911140

IUPAC2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESN#Cc1ccc(COc2ccc(F)cc2S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H9ClFNO3S/c15-21(18,19)14-7-12(16)5-6-13(14)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2
InChIKeyHMVWMOADMRKUOF-UHFFFAOYSA-N
MW325.75 g/mol
LogP3.20
Rot. Bonds4

About 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride

2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (PubChem CID 82911140) has the molecular formula C14H9ClFNO3S and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
PubChem CID82911140
Molecular FormulaC14H9ClFNO3S
Molecular Weight325.75 g/mol
Exact Mass325.00
IUPAC Name2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
SMILESN#Cc1ccc(COc2ccc(F)cc2S(=O)(=O)Cl)cc1
InChIInChI=1S/C14H9ClFNO3S/c15-21(18,19)14-7-12(16)5-6-13(14)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2
InChIKeyHMVWMOADMRKUOF-UHFFFAOYSA-N
XLogP3.20
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 103037941
5-fluoro-2-(pyrimidin-2-ylmethoxy)benzenesulfonyl chloride
CID 82910104
2-[(4-cyanophenyl)methoxy]-4-fluorobenzoic acid
CID 107014369
5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonyl chloride
CID 82910903
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
2-[(2-bromo-4-fluorophenyl)methoxy]-5-fluorobenzenesulfonyl chloride
CID 62104790
4-[(4-fluorophenyl)methoxy]-2,5-dimethylbenzenesulfonyl chloride
CID 43134393
4-[(2-fluoro-4-formylphenoxy)methyl]benzonitrile
CID 113338138
4-[[2-fluoro-4-[9-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]nonyl]phenoxy]methyl]benzonitrile
CID 90051551
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The IUPAC name of 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride (CID 82911140) is 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride.
What is the SMILES notation for 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The canonical SMILES for 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is N#Cc1ccc(COc2ccc(F)cc2S(=O)(=O)Cl)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
The InChIKey is HMVWMOADMRKUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO3S/c15-21(18,19)14-7-12(16)5-6-13(14)20-9-11-3-1-10(8-17)2-4-11/h1-7H,9H2.
What are the key properties of 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride?
2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride has a molecular weight of 325.75 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methoxy]-5-fluorobenzenesulfonyl chloride is sourced from PubChem (CID 82911140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).