N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide

C12H10Br2N2O3S — CID 107697937

IUPACN-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide
SMILESNc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H10Br2N2O3S/c13-7-1-3-9(14)12(5-7)20(18,19)16-11-4-2-8(17)6-10(11)15/h1-6,16-17H,15H2
InChIKeyBPDAWPOMPGELHU-UHFFFAOYSA-N
MW422.10 g/mol
LogP3.30
Rot. Bonds3

About N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide

N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide (PubChem CID 107697937) has the molecular formula C12H10Br2N2O3S and a molecular weight of 422.10 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide
PubChem CID107697937
Molecular FormulaC12H10Br2N2O3S
Molecular Weight422.10 g/mol
Exact Mass419.88
IUPAC NameN-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide
SMILESNc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C12H10Br2N2O3S/c13-7-1-3-9(14)12(5-7)20(18,19)16-11-4-2-8(17)6-10(11)15/h1-6,16-17H,15H2
InChIKeyBPDAWPOMPGELHU-UHFFFAOYSA-N
XLogP3.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-bromophenyl)-2,5-dibromobenzenesulfonamide
CID 29008391
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729
N-(2-amino-4-hydroxyphenyl)-2,5-dichlorobenzenesulfonamide
CID 107697838
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
2-amino-5-bromo-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61167481
2-amino-5-bromo-N-(2,4,6-tribromophenyl)benzenesulfonamide
CID 63401790
2-amino-5-bromo-N-(2-bromo-5-chlorophenyl)benzenesulfonamide
CID 81262723
2-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
2-amino-N-(2,4-dibromophenyl)benzenesulfonamide
CID 61471964
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide (CID 107697937) is N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide is Nc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide?
The InChIKey is BPDAWPOMPGELHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3S/c13-7-1-3-9(14)12(5-7)20(18,19)16-11-4-2-8(17)6-10(11)15/h1-6,16-17H,15H2.
What are the key properties of N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide?
N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide has a molecular weight of 422.10 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-2,5-dibromobenzenesulfonamide is sourced from PubChem (CID 107697937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).