2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide

C12H10Br2N2O3S — CID 79462441

IUPAC2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
SMILESNc1cc(Oc2ccc(Br)cc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C12H10Br2N2O3S/c13-7-1-3-11(9(14)5-7)19-8-2-4-12(10(15)6-8)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyYEFUPOAPPGQDTJ-UHFFFAOYSA-N
MW422.10 g/mol
LogP3.23
Rot. Bonds3

About 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide

2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide (PubChem CID 79462441) has the molecular formula C12H10Br2N2O3S and a molecular weight of 422.10 g/mol. Its IUPAC name is 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
PubChem CID79462441
Molecular FormulaC12H10Br2N2O3S
Molecular Weight422.10 g/mol
Exact Mass419.88
IUPAC Name2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
SMILESNc1cc(Oc2ccc(Br)cc2Br)ccc1S(N)(=O)=O
InChIInChI=1S/C12H10Br2N2O3S/c13-7-1-3-11(9(14)5-7)19-8-2-4-12(10(15)6-8)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyYEFUPOAPPGQDTJ-UHFFFAOYSA-N
XLogP3.23
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
CID 79467354
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
2-bromo-5-(2,4-dibromophenoxy)phenol
CID 11015373
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide (CID 79462441) is 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide is Nc1cc(Oc2ccc(Br)cc2Br)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide?
The InChIKey is YEFUPOAPPGQDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3S/c13-7-1-3-11(9(14)5-7)19-8-2-4-12(10(15)6-8)20(16,17)18/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide?
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide has a molecular weight of 422.10 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide is sourced from PubChem (CID 79462441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).