2-(difluoromethyl)benzenesulfonyl chloride

C7H5ClF2O2S — CID 55279816

IUPAC2-(difluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C(F)F
InChIInChI=1S/C7H5ClF2O2S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKeyHOHYZHBHYKDMAT-UHFFFAOYSA-N
MW226.63 g/mol
LogP2.55
Rot. Bonds2

About 2-(difluoromethyl)benzenesulfonyl chloride

2-(difluoromethyl)benzenesulfonyl chloride (PubChem CID 55279816) has the molecular formula C7H5ClF2O2S and a molecular weight of 226.63 g/mol. Its IUPAC name is 2-(difluoromethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)benzenesulfonyl chloride
PubChem CID55279816
Molecular FormulaC7H5ClF2O2S
Molecular Weight226.63 g/mol
Exact Mass225.97
IUPAC Name2-(difluoromethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1C(F)F
InChIInChI=1S/C7H5ClF2O2S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKeyHOHYZHBHYKDMAT-UHFFFAOYSA-N
XLogP2.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.63
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 6924
CID 6924
CID 9965
CID 9965
CID 7397
CID 7397
CID 2778018
CID 2778018
CID 85570
CID 85570
CID 8623
CID 8623
CID 12195854
CID 12195854
CID 70018
CID 70018
CID 6925
CID 6925
CID 87910
CID 87910
CID 11010480
CID 11010480
CID 10610114
CID 10610114

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)benzenesulfonyl chloride?
The IUPAC name of 2-(difluoromethyl)benzenesulfonyl chloride (CID 55279816) is 2-(difluoromethyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(difluoromethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)benzenesulfonyl chloride?
The InChIKey is HOHYZHBHYKDMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O2S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4,7H.
What are the key properties of 2-(difluoromethyl)benzenesulfonyl chloride?
2-(difluoromethyl)benzenesulfonyl chloride has a molecular weight of 226.63 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)benzenesulfonyl chloride is sourced from PubChem (CID 55279816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).