4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide

C12H10BrClN2O3S — CID 82898890

IUPAC4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C12H10BrClN2O3S/c13-7-1-3-9(14)11(5-7)19-12-6-8(20(16,17)18)2-4-10(12)15/h1-6H,15H2,(H2,16,17,18)
InChIKeyFMLQTIWSZVOXON-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.12
Rot. Bonds3

About 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide

4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide (PubChem CID 82898890) has the molecular formula C12H10BrClN2O3S and a molecular weight of 377.65 g/mol. Its IUPAC name is 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide
PubChem CID82898890
Molecular FormulaC12H10BrClN2O3S
Molecular Weight377.65 g/mol
Exact Mass375.93
IUPAC Name4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1Oc1cc(Br)ccc1Cl
InChIInChI=1S/C12H10BrClN2O3S/c13-7-1-3-9(14)11(5-7)19-12-6-8(20(16,17)18)2-4-10(12)15/h1-6H,15H2,(H2,16,17,18)
InChIKeyFMLQTIWSZVOXON-UHFFFAOYSA-N
XLogP3.12
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.65
LogP ≤ 53.12
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

4-amino-3-(4-bromo-2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82902175
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
3-bromo-4-(4-bromo-2,5-dichlorophenoxy)benzenesulfonamide
CID 107659863
4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
CID 82899200
4-amino-3-(3-bromo-4-fluorophenoxy)benzenesulfonamide
CID 83231994
4-amino-3-(4-bromo-3-fluorophenoxy)benzenesulfonamide
CID 82898332
4-amino-3-(2,5-dibromoanilino)benzenesulfonamide
CID 82907244
4-amino-3-(2-cyanophenoxy)benzenesulfonamide
CID 82900103
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483
4-bromo-2-(4-chloro-2-methylphenoxy)aniline
CID 65342319
4-bromo-2-(2-bromo-4-fluorophenoxy)aniline
CID 65342586

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide?
The IUPAC name of 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide (CID 82898890) is 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1Oc1cc(Br)ccc1Cl.
What is the InChIKey of 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide?
The InChIKey is FMLQTIWSZVOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S/c13-7-1-3-9(14)11(5-7)19-12-6-8(20(16,17)18)2-4-10(12)15/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide?
4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide has a molecular weight of 377.65 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide is sourced from PubChem (CID 82898890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).