4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide

C12H7BrCl2FNO3S — CID 116527677

IUPAC4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1F
InChIInChI=1S/C12H7BrCl2FNO3S/c13-6-1-2-11(10(16)3-6)21(19,20)17-7-4-8(14)12(18)9(15)5-7/h1-5,17-18H
InChIKeyRWUVPYRMVQDWRJ-UHFFFAOYSA-N
MW415.07 g/mol
LogP4.40
Rot. Bonds3

About 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide

4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide (PubChem CID 116527677) has the molecular formula C12H7BrCl2FNO3S and a molecular weight of 415.07 g/mol. Its IUPAC name is 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
PubChem CID116527677
Molecular FormulaC12H7BrCl2FNO3S
Molecular Weight415.07 g/mol
Exact Mass412.87
IUPAC Name4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1F
InChIInChI=1S/C12H7BrCl2FNO3S/c13-6-1-2-11(10(16)3-6)21(19,20)17-7-4-8(14)12(18)9(15)5-7/h1-5,17-18H
InChIKeyRWUVPYRMVQDWRJ-UHFFFAOYSA-N
XLogP4.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.07
LogP ≤ 54.40
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

2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
4-bromo-N-(4-chloro-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 97455698
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
4-bromo-2-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 116527650
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
4-bromo-2-fluoro-N-(4-hydroxy-3-methylphenyl)benzenesulfonamide
CID 116527675
4-bromo-N-(6-chloro-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 116528770
4-bromo-N-(2-bromo-3-chlorophenyl)-2-fluorobenzenesulfonamide
CID 103480213
2-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 103878560
4-bromo-N-(3,5-dimethoxyphenyl)-2-fluorobenzenesulfonamide
CID 98000872
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
4-bromo-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 53240323

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide (CID 116527677) is 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is RWUVPYRMVQDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO3S/c13-6-1-2-11(10(16)3-6)21(19,20)17-7-4-8(14)12(18)9(15)5-7/h1-5,17-18H.
What are the key properties of 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 415.07 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116527677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).