2,5-dibromo-3,6-difluorobenzenesulfonyl chloride

C6HBr2ClF2O2S — CID 574297

IUPAC2,5-dibromo-3,6-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)c(Br)cc(F)c1Br
InChIInChI=1S/C6HBr2ClF2O2S/c7-2-1-3(10)4(8)6(5(2)11)14(9,12)13/h1H
InChIKeyOTBDNAGWXGDPNX-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.42
Rot. Bonds1

About 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride

2,5-dibromo-3,6-difluorobenzenesulfonyl chloride (PubChem CID 574297) has the molecular formula C6HBr2ClF2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-dibromo-3,6-difluorobenzenesulfonyl chloride
PubChem CID574297
Molecular FormulaC6HBr2ClF2O2S
Molecular Weight370.40 g/mol
Exact Mass367.77
IUPAC Name2,5-dibromo-3,6-difluorobenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1c(F)c(Br)cc(F)c1Br
InChIInChI=1S/C6HBr2ClF2O2S/c7-2-1-3(10)4(8)6(5(2)11)14(9,12)13/h1H
InChIKeyOTBDNAGWXGDPNX-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride?
The IUPAC name of 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride (CID 574297) is 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride?
The canonical SMILES for 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride is O=S(=O)(Cl)c1c(F)c(Br)cc(F)c1Br.
What is the InChIKey of 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride?
The InChIKey is OTBDNAGWXGDPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClF2O2S/c7-2-1-3(10)4(8)6(5(2)11)14(9,12)13/h1H.
What are the key properties of 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride?
2,5-dibromo-3,6-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 2,5-dibromo-3,6-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 574297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).