2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide

C12H8Br2FNO3S — CID 64781653

IUPAC2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H8Br2FNO3S/c13-7-1-3-9(14)12(5-7)20(18,19)16-8-2-4-11(17)10(15)6-8/h1-6,16-17H
InChIKeyXTCDYBARIGQAHL-UHFFFAOYSA-N
MW425.07 g/mol
LogP3.86
Rot. Bonds3

About 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide

2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 64781653) has the molecular formula C12H8Br2FNO3S and a molecular weight of 425.07 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID64781653
Molecular FormulaC12H8Br2FNO3S
Molecular Weight425.07 g/mol
Exact Mass422.86
IUPAC Name2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H8Br2FNO3S/c13-7-1-3-9(14)12(5-7)20(18,19)16-8-2-4-11(17)10(15)6-8/h1-6,16-17H
InChIKeyXTCDYBARIGQAHL-UHFFFAOYSA-N
XLogP3.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.07
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
2,5-dibromo-N-[4-(difluoromethoxy)phenyl]benzenesulfonamide
CID 26980608
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
CID 26952572
4-(bromomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 65480451
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
4-fluoro-N-(3-fluoro-4-hydroxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 107327223
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide (CID 64781653) is 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)c(F)c1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is XTCDYBARIGQAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2FNO3S/c13-7-1-3-9(14)12(5-7)20(18,19)16-8-2-4-11(17)10(15)6-8/h1-6,16-17H.
What are the key properties of 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide?
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 425.07 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 64781653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).