3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide

C12H10BrClN2O3S — CID 43347164

IUPAC3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)ccc1O
InChIInChI=1S/C12H10BrClN2O3S/c13-7-1-3-11(9(14)5-7)16-20(18,19)8-2-4-12(17)10(15)6-8/h1-6,16-17H,15H2
InChIKeyWCIAWNDFRQWBMH-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.19
Rot. Bonds3

About 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide

3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide (PubChem CID 43347164) has the molecular formula C12H10BrClN2O3S and a molecular weight of 377.65 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
PubChem CID43347164
Molecular FormulaC12H10BrClN2O3S
Molecular Weight377.65 g/mol
Exact Mass375.93
IUPAC Name3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide
SMILESNc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)ccc1O
InChIInChI=1S/C12H10BrClN2O3S/c13-7-1-3-11(9(14)5-7)16-20(18,19)8-2-4-12(17)10(15)6-8/h1-6,16-17H,15H2
InChIKeyWCIAWNDFRQWBMH-UHFFFAOYSA-N
XLogP3.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43168118
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
4-amino-3-bromo-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 62058562
3-amino-4-chloro-N-(2,5-dibromophenyl)benzenesulfonamide
CID 61466408
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
N-(4-amino-2-chlorophenyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106604917
3-amino-N-(3,5-dimethylphenyl)-4-hydroxybenzenesulfonamide
CID 30053987
3-amino-N-(4-bromo-2-chlorophenyl)-5-fluorobenzenesulfonamide
CID 63321999
4-amino-2,6-dibromo-N-(4-bromo-2-chlorophenyl)benzenesulfonamide
CID 43258925
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide?
The IUPAC name of 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide (CID 43347164) is 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide is Nc1cc(S(=O)(=O)Nc2ccc(Br)cc2Cl)ccc1O.
What is the InChIKey of 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide?
The InChIKey is WCIAWNDFRQWBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S/c13-7-1-3-11(9(14)5-7)16-20(18,19)8-2-4-12(17)10(15)6-8/h1-6,16-17H,15H2.
What are the key properties of 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide?
3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide has a molecular weight of 377.65 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-chlorophenyl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 43347164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).