6-bromo-2,3-difluorobenzenesulfonamide

C6H4BrF2NO2S — CID 171004866

IUPAC6-bromo-2,3-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)ccc(F)c1F
InChIInChI=1S/C6H4BrF2NO2S/c7-3-1-2-4(8)5(9)6(3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyLJDRBGNZLAJWGV-UHFFFAOYSA-N
MW272.07 g/mol
LogP1.37
Rot. Bonds1

About 6-bromo-2,3-difluorobenzenesulfonamide

6-bromo-2,3-difluorobenzenesulfonamide (PubChem CID 171004866) has the molecular formula C6H4BrF2NO2S and a molecular weight of 272.07 g/mol. Its IUPAC name is 6-bromo-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name6-bromo-2,3-difluorobenzenesulfonamide
PubChem CID171004866
Molecular FormulaC6H4BrF2NO2S
Molecular Weight272.07 g/mol
Exact Mass270.91
IUPAC Name6-bromo-2,3-difluorobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)ccc(F)c1F
InChIInChI=1S/C6H4BrF2NO2S/c7-3-1-2-4(8)5(9)6(3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyLJDRBGNZLAJWGV-UHFFFAOYSA-N
XLogP1.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.07
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-fluoro-2-iodobenzenesulfonamide
CID 171033070
2,6-difluoro-3-hydroxybenzenesulfonamide
CID 119008908
3,4-dibromo-2-fluorobenzenesulfonamide
CID 130822552
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
CID 130776377
2,3,4,5,6-pentafluorobenzenesulfonamide
CID 2063927
3,6-dibromo-2-cyanobenzenesulfonamide
CID 171007059
3,6-difluoro-2-nitrobenzenesulfonamide
CID 171030354
4-bromo-3-fluoro-2-hydroxybenzenesulfonamide
CID 130924167
2,4,6-trifluorobenzenesulfonamide
CID 2778291
4-bromo-2-fluoro-6-iodobenzenesulfonamide
CID 171033063
2,6-dibromo-4-chlorobenzenesulfonamide
CID 130484005
2-bromo-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 171000749

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-difluorobenzenesulfonamide?
The IUPAC name of 6-bromo-2,3-difluorobenzenesulfonamide (CID 171004866) is 6-bromo-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 6-bromo-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 6-bromo-2,3-difluorobenzenesulfonamide is NS(=O)(=O)c1c(Br)ccc(F)c1F.
What is the InChIKey of 6-bromo-2,3-difluorobenzenesulfonamide?
The InChIKey is LJDRBGNZLAJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2NO2S/c7-3-1-2-4(8)5(9)6(3)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 6-bromo-2,3-difluorobenzenesulfonamide?
6-bromo-2,3-difluorobenzenesulfonamide has a molecular weight of 272.07 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 171004866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).