5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride

C7H4Cl2F2O3S — CID 51064979

IUPAC5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C7H4Cl2F2O3S/c8-4-1-2-5(14-7(10)11)6(3-4)15(9,12)13/h1-3,7H
InChIKeyMZJHCKWXCWYMPJ-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.87
Rot. Bonds3

About 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride

5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 51064979) has the molecular formula C7H4Cl2F2O3S and a molecular weight of 277.07 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID51064979
Molecular FormulaC7H4Cl2F2O3S
Molecular Weight277.07 g/mol
Exact Mass275.92
IUPAC Name5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OC(F)F
InChIInChI=1S/C7H4Cl2F2O3S/c8-4-1-2-5(14-7(10)11)6(3-4)15(9,12)13/h1-3,7H
InChIKeyMZJHCKWXCWYMPJ-UHFFFAOYSA-N
XLogP2.87
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-pentan-2-yloxybenzenesulfonyl chloride
CID 107889750
2-[[5-chloro-2-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 122101473
2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorobenzenesulfonyl chloride
CID 82922031
ethyl 3-chlorosulfonyl-4-(difluoromethoxy)benzoate
CID 43436785
5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
CID 82925914
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302
4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
CID 131498740
4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 118827927
5-chloro-2-(difluoromethoxy)pyridine-3-sulfonyl chloride
CID 138675726
(2R)-1-[5-chloro-2-(difluoromethoxy)phenyl]sulfonylpyrrolidine-2-carboxylic acid
CID 122101498
2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131456111
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride (CID 51064979) is 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OC(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is MZJHCKWXCWYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O3S/c8-4-1-2-5(14-7(10)11)6(3-4)15(9,12)13/h1-3,7H.
What are the key properties of 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride?
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride has a molecular weight of 277.07 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 51064979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).