3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide

C12H8BrCl2NO3S — CID 82884313

IUPAC3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrCl2NO3S/c13-7-2-1-3-9(4-7)20(18,19)16-8-5-10(14)12(17)11(15)6-8/h1-6,16-17H
InChIKeyQNJNJOSZVDOJON-UHFFFAOYSA-N
MW397.08 g/mol
LogP4.26
Rot. Bonds3

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

3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide (PubChem CID 82884313) has the molecular formula C12H8BrCl2NO3S and a molecular weight of 397.08 g/mol. Its IUPAC name is 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
PubChem CID82884313
Molecular FormulaC12H8BrCl2NO3S
Molecular Weight397.08 g/mol
Exact Mass394.88
IUPAC Name3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C12H8BrCl2NO3S/c13-7-2-1-3-9(4-7)20(18,19)16-8-5-10(14)12(17)11(15)6-8/h1-6,16-17H
InChIKeyQNJNJOSZVDOJON-UHFFFAOYSA-N
XLogP4.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 54.26
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'}

Analyze 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
3-bromo-N-naphthalen-2-ylbenzenesulfonamide
CID 7938660
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide (CID 82884313) is 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is QNJNJOSZVDOJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2NO3S/c13-7-2-1-3-9(4-7)20(18,19)16-8-5-10(14)12(17)11(15)6-8/h1-6,16-17H.
What are the key properties of 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide?
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 397.08 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 82884313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).