4-bromo-2-fluoro-6-iodobenzenesulfonamide

C6H4BrFINO2S — CID 171033063

IUPAC4-bromo-2-fluoro-6-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(Br)cc1I
InChIInChI=1S/C6H4BrFINO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyJZROVFCDBMPWLQ-UHFFFAOYSA-N
MW379.98 g/mol
LogP1.84
Rot. Bonds1

About 4-bromo-2-fluoro-6-iodobenzenesulfonamide

4-bromo-2-fluoro-6-iodobenzenesulfonamide (PubChem CID 171033063) has the molecular formula C6H4BrFINO2S and a molecular weight of 379.98 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-iodobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-iodobenzenesulfonamide
PubChem CID171033063
Molecular FormulaC6H4BrFINO2S
Molecular Weight379.98 g/mol
Exact Mass378.82
IUPAC Name4-bromo-2-fluoro-6-iodobenzenesulfonamide
SMILESNS(=O)(=O)c1c(F)cc(Br)cc1I
InChIInChI=1S/C6H4BrFINO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12)
InChIKeyJZROVFCDBMPWLQ-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,6-diiodobenzenesulfonate
CID 177131361
4-bromo-2-(cyclopropylamino)-6-fluorobenzenesulfonamide
CID 67529849
2,4,6-trifluorobenzenesulfonamide
CID 2778291
6-bromo-3-fluoro-2-iodobenzenesulfonamide
CID 171033070
4-bromo-2-chloro-6-fluorobenzenesulfonyl chloride
CID 50998066
3-bromo-5-fluorobenzenesulfonamide
CID 118572967
6-bromo-2,3-difluorobenzenesulfonamide
CID 171004866
4-[1-(3,5-dibromophenyl)-3-(difluoromethyl)pyrazol-5-yl]-2,6-difluorobenzenesulfonamide
CID 22745991
2-iodo-4,6-bis(trifluoromethyl)benzenesulfonamide
CID 119003736
ethane;2-fluoro-6-iodobenzenesulfonamide;2-iodo-6-methylbenzenesulfonamide;methane
CID 159623365
5-bromo-2-fluoro-3-iodoaniline;hydrochloride
CID 164664220
4-bromo-1-fluoro-2-iodobenzene
CID 2782750

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-iodobenzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-6-iodobenzenesulfonamide (CID 171033063) is 4-bromo-2-fluoro-6-iodobenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-iodobenzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-6-iodobenzenesulfonamide is NS(=O)(=O)c1c(F)cc(Br)cc1I.
What is the InChIKey of 4-bromo-2-fluoro-6-iodobenzenesulfonamide?
The InChIKey is JZROVFCDBMPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFINO2S/c7-3-1-4(8)6(5(9)2-3)13(10,11)12/h1-2H,(H2,10,11,12).
What are the key properties of 4-bromo-2-fluoro-6-iodobenzenesulfonamide?
4-bromo-2-fluoro-6-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 4-bromo-2-fluoro-6-iodobenzenesulfonamide is sourced from PubChem (CID 171033063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).