2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride

C7H4Cl2F2O3S — CID 131456111

IUPAC2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(OC(F)F)ccc1Cl
InChIInChI=1S/C7H4Cl2F2O3S/c8-5-2-1-4(14-7(10)11)3-6(5)15(9,12)13/h1-3,7H
InChIKeyBPLZCLQROXZNDL-UHFFFAOYSA-N
MW277.07 g/mol
LogP2.87
Rot. Bonds3

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

2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 131456111) has the molecular formula C7H4Cl2F2O3S and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID131456111
Molecular FormulaC7H4Cl2F2O3S
Molecular Weight277.07 g/mol
Exact Mass275.92
IUPAC Name2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(OC(F)F)ccc1Cl
InChIInChI=1S/C7H4Cl2F2O3S/c8-5-2-1-4(14-7(10)11)3-6(5)15(9,12)13/h1-3,7H
InChIKeyBPLZCLQROXZNDL-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

2-Chloro-5-methoxybenzene-1-sulfonamide
CID 314042
5-Chloro-2-methoxybenzene-1-sulfonyl chloride
CID 2734272
3-(Trifluoromethoxy)benzene-1-sulfonyl chloride
CID 2777218
3-(Difluoromethoxy)benzenesulfonyl chloride
CID 2778226
5-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 13322054
2-Chloro-5-(trifluoromethoxy)benzenesulfonyl chloride
CID 13322055
4-Chloro-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 17978366
2-Chloro-4-methoxybenzene-1-sulfonyl chloride
CID 20116841
2-Chloro-5-methoxybenzene-1-sulfonyl chloride
CID 22033536
4-Chloro-3-methoxybenzene-1-sulfonyl chloride
CID 50876025
5-Chloro-2-(difluoromethoxy)benzene-1-sulfonyl chloride
CID 51064979
2-Chloro-3-methoxybenzene-1-sulfonyl chloride
CID 55280680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride (CID 131456111) is 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(OC(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is BPLZCLQROXZNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2O3S/c8-5-2-1-4(14-7(10)11)3-6(5)15(9,12)13/h1-3,7H.
What are the key properties of 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride?
2-chloro-5-(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 2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 131456111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).