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

C12H7Br2Cl2NO3S — CID 107681665

IUPAC2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2Cl2NO3S/c13-6-1-2-11(8(14)3-6)21(19,20)17-7-4-9(15)12(18)10(16)5-7/h1-5,17-18H
InChIKeyABTNZOLHLLPCCJ-UHFFFAOYSA-N
MW475.97 g/mol
LogP5.02
Rot. Bonds3

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

2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 107681665) has the molecular formula C12H7Br2Cl2NO3S and a molecular weight of 475.97 g/mol. Its IUPAC name is 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID107681665
Molecular FormulaC12H7Br2Cl2NO3S
Molecular Weight475.97 g/mol
Exact Mass472.79
IUPAC Name2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br2Cl2NO3S/c13-6-1-2-11(8(14)3-6)21(19,20)17-7-4-9(15)12(18)10(16)5-7/h1-5,17-18H
InChIKeyABTNZOLHLLPCCJ-UHFFFAOYSA-N
XLogP5.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.97
LogP ≤ 55.02
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

4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
2-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 103878560
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107577552
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
CID 61061862
2,4-dibromo-N-(4-cyanophenyl)benzenesulfonamide
CID 47257475
2,4-dibromo-N-(3-iodophenyl)benzenesulfonamide
CID 60823302

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide (CID 107681665) is 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is ABTNZOLHLLPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2Cl2NO3S/c13-6-1-2-11(8(14)3-6)21(19,20)17-7-4-9(15)12(18)10(16)5-7/h1-5,17-18H.
What are the key properties of 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 475.97 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 107681665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).