3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride

C12H7Cl2FO3S — CID 61375597

IUPAC3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccccc2F)c(Cl)c1
InChIInChI=1S/C12H7Cl2FO3S/c13-9-7-8(19(14,16)17)5-6-11(9)18-12-4-2-1-3-10(12)15/h1-7H
InChIKeyKGFKEULLQBUMFG-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.20
Rot. Bonds3

About 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride

3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride (PubChem CID 61375597) has the molecular formula C12H7Cl2FO3S and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
PubChem CID61375597
Molecular FormulaC12H7Cl2FO3S
Molecular Weight321.16 g/mol
Exact Mass319.95
IUPAC Name3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Oc2ccccc2F)c(Cl)c1
InChIInChI=1S/C12H7Cl2FO3S/c13-9-7-8(19(14,16)17)5-6-11(9)18-12-4-2-1-3-10(12)15/h1-7H
InChIKeyKGFKEULLQBUMFG-UHFFFAOYSA-N
XLogP4.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-(2,5-dichlorophenoxy)benzenesulfonyl chloride
CID 61375214
3-chloro-4-(4-chloro-3-fluorophenoxy)benzenesulfonyl chloride
CID 82717120
3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
3-chloro-4-(3,5-dimethylphenoxy)benzenesulfonyl chloride
CID 61372963
3-chloro-4-(4-methylsulfanylphenoxy)benzenesulfonyl chloride
CID 63649148
3-chloro-4-(3-methylphenoxy)benzenesulfonyl chloride
CID 61373146
3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264
2-(2-chlorophenoxy)pyridine-4-sulfonyl chloride
CID 117167869
3-chloro-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-4-methoxybenzenesulfonamide
CID 71799831
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
3-chloro-4-(4-nitrophenoxy)benzenesulfonyl chloride
CID 12505133
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride?
The IUPAC name of 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride (CID 61375597) is 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride.
What is the SMILES notation for 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride?
The canonical SMILES for 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Oc2ccccc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride?
The InChIKey is KGFKEULLQBUMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2FO3S/c13-9-7-8(19(14,16)17)5-6-11(9)18-12-4-2-1-3-10(12)15/h1-7H.
What are the key properties of 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride?
3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride has a molecular weight of 321.16 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride is sourced from PubChem (CID 61375597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).