2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride

C7H3Br2ClF2O3S — CID 131266855

IUPAC2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(OC(F)F)c(Br)cc1Br
InChIInChI=1S/C7H3Br2ClF2O3S/c8-3-1-4(9)6(16(10,13)14)2-5(3)15-7(11)12/h1-2,7H
InChIKeyYSIYVCDXZNGIRL-UHFFFAOYSA-N
MW400.42 g/mol
LogP3.74
Rot. Bonds3

About 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride

2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride (PubChem CID 131266855) has the molecular formula C7H3Br2ClF2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
PubChem CID131266855
Molecular FormulaC7H3Br2ClF2O3S
Molecular Weight400.42 g/mol
Exact Mass397.78
IUPAC Name2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(OC(F)F)c(Br)cc1Br
InChIInChI=1S/C7H3Br2ClF2O3S/c8-3-1-4(9)6(16(10,13)14)2-5(3)15-7(11)12/h1-2,7H
InChIKeyYSIYVCDXZNGIRL-UHFFFAOYSA-N
XLogP3.74
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide
CID 118852223
2,4-dibromo-5-methylbenzenesulfonyl chloride
CID 171002124
2-(difluoromethoxy)-4-(trifluoromethoxy)benzenesulfonyl chloride
CID 170997860
1,5-dibromo-2-(difluoromethoxy)-4-(trifluoromethylsulfanyl)benzene
CID 118824768
4-cyano-2-(difluoromethoxy)-5-fluorobenzenesulfonyl chloride
CID 131498740
4-chloro-5-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 118827927
2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
2-chloro-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131456111
6-bromo-5-(difluoromethoxy)-1H-indole
CID 134449042
2-bromo-4-fluoro-5-iodobenzenesulfonyl chloride
CID 171001525
5-bromo-4-(difluoromethoxy)-2-iodoaniline
CID 131323570

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride?
The IUPAC name of 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride (CID 131266855) is 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride?
The canonical SMILES for 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(OC(F)F)c(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride?
The InChIKey is YSIYVCDXZNGIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2ClF2O3S/c8-3-1-4(9)6(16(10,13)14)2-5(3)15-7(11)12/h1-2,7H.
What are the key properties of 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride?
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride has a molecular weight of 400.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 131266855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).