4,6-dibromo-2,3-difluorobenzenesulfonyl chloride

C6HBr2ClF2O2S — CID 118824087

IUPAC4,6-dibromo-2,3-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)cc(Br)c(F)c1F
InChIInChI=1S/C6HBr2ClF2O2S/c7-2-1-3(8)6(14(9,12)13)5(11)4(2)10/h1H
InChIKeyJWVGHYWZKYBFDO-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.42
Rot. Bonds1

About 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride

4,6-dibromo-2,3-difluorobenzenesulfonyl chloride (PubChem CID 118824087) has the molecular formula C6HBr2ClF2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4,6-dibromo-2,3-difluorobenzenesulfonyl chloride
PubChem CID118824087
Molecular FormulaC6HBr2ClF2O2S
Molecular Weight370.40 g/mol
Exact Mass367.77
IUPAC Name4,6-dibromo-2,3-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(Br)cc(Br)c(F)c1F
InChIInChI=1S/C6HBr2ClF2O2S/c7-2-1-3(8)6(14(9,12)13)5(11)4(2)10/h1H
InChIKeyJWVGHYWZKYBFDO-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-6-fluorobenzenesulfonyl chloride
CID 50998006
3-bromo-2,5-difluorobenzenesulfonyl chloride
CID 54379847
4-bromo-2-(difluoromethyl)-6-fluoropyridine-3-sulfonyl chloride
CID 118799821
2,4-dibromo-6-methylbenzenesulfonyl chloride
CID 91678308
5-bromo-4-chloro-2-fluorobenzenesulfonyl chloride
CID 56604734
4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride
CID 50998066
4-bromo-5-chloro-2-fluorobenzenesulfonyl chloride
CID 50998068
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
CID 130776377
4-chloro-2,6-difluorobenzenesulfonyl chloride
CID 50998405
(3-bromo-2,5-difluorophenyl)methanesulfonyl chloride
CID 117490895
2-bromo-4-cyano-6-iodobenzenesulfonyl chloride
CID 130663376
methyl 3-bromo-5-chlorosulfonyl-2-fluorobenzoate
CID 106751284

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride?
The IUPAC name of 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride (CID 118824087) is 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1c(Br)cc(Br)c(F)c1F.
What is the InChIKey of 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride?
The InChIKey is JWVGHYWZKYBFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClF2O2S/c7-2-1-3(8)6(14(9,12)13)5(11)4(2)10/h1H.
What are the key properties of 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride?
4,6-dibromo-2,3-difluorobenzenesulfonyl chloride has a molecular weight of 370.40 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2,3-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 118824087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).