6-bromo-3-fluoro-2-iodobenzenesulfonamide

C6H4BrFINO2S — CID 171033070

IUPAC6-bromo-3-fluoro-2-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)ccc(F)c1I
InChIInChI=1S/C6H4BrFINO2S/c7-3-1-2-4(8)5(9)6(3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyUDFXGIGVUBPJIH-UHFFFAOYSA-N
MW379.98 g/mol
LogP1.84
Rot. Bonds1

About 6-bromo-3-fluoro-2-iodobenzenesulfonamide

6-bromo-3-fluoro-2-iodobenzenesulfonamide (PubChem CID 171033070) has the molecular formula C6H4BrFINO2S and a molecular weight of 379.98 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-iodobenzenesulfonamide.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-iodobenzenesulfonamide
PubChem CID171033070
Molecular FormulaC6H4BrFINO2S
Molecular Weight379.98 g/mol
Exact Mass378.82
IUPAC Name6-bromo-3-fluoro-2-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1c(Br)ccc(F)c1I
InChIInChI=1S/C6H4BrFINO2S/c7-3-1-2-4(8)5(9)6(3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyUDFXGIGVUBPJIH-UHFFFAOYSA-N
XLogP1.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.98
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2,3-difluorobenzenesulfonamide
CID 171004866
4-bromo-2-fluoro-6-iodobenzenesulfonamide
CID 171033063
6-bromo-3-fluoro-2-hydroxybenzenesulfonyl chloride
CID 130776377
2-bromo-1,4-difluoro-3-iodobenzene
CID 50998401
2,6-difluoro-3-hydroxybenzenesulfonamide
CID 119008908
3,6-dibromo-2-cyanobenzenesulfonamide
CID 171007059
4-bromo-3-chloro-2-iodobenzenesulfonamide
CID 171000259
3,6-difluoro-2-nitrobenzenesulfonamide
CID 171030354
3,4-dibromo-2-fluorobenzenesulfonamide
CID 130822552
2,4,6-trifluorobenzenesulfonamide
CID 2778291
2-fluoro-4-iodopyridine-3-sulfonamide
CID 130882382
2-bromo-3-iodo-6-methylbenzenesulfonamide
CID 171033362

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-iodobenzenesulfonamide?
The IUPAC name of 6-bromo-3-fluoro-2-iodobenzenesulfonamide (CID 171033070) is 6-bromo-3-fluoro-2-iodobenzenesulfonamide.
What is the SMILES notation for 6-bromo-3-fluoro-2-iodobenzenesulfonamide?
The canonical SMILES for 6-bromo-3-fluoro-2-iodobenzenesulfonamide is NS(=O)(=O)c1c(Br)ccc(F)c1I.
What is the InChIKey of 6-bromo-3-fluoro-2-iodobenzenesulfonamide?
The InChIKey is UDFXGIGVUBPJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFINO2S/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-3-fluoro-2-iodobenzenesulfonamide?
6-bromo-3-fluoro-2-iodobenzenesulfonamide has a molecular weight of 379.98 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-iodobenzenesulfonamide is sourced from PubChem (CID 171033070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).