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

C12H10BrClN2O3S — CID 115993018

IUPAC2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide
SMILESNc1c(Oc2ccc(Br)cc2Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C12H10BrClN2O3S/c13-7-4-5-9(8(14)6-7)19-10-2-1-3-11(12(10)15)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyGQCNLGBNBAEMPU-UHFFFAOYSA-N
MW377.65 g/mol
LogP3.12
Rot. Bonds3

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

2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide (PubChem CID 115993018) has the molecular formula C12H10BrClN2O3S and a molecular weight of 377.65 g/mol. Its IUPAC name is 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide
PubChem CID115993018
Molecular FormulaC12H10BrClN2O3S
Molecular Weight377.65 g/mol
Exact Mass375.93
IUPAC Name2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide
SMILESNc1c(Oc2ccc(Br)cc2Cl)cccc1S(N)(=O)=O
InChIInChI=1S/C12H10BrClN2O3S/c13-7-4-5-9(8(14)6-7)19-10-2-1-3-11(12(10)15)20(16,17)18/h1-6H,15H2,(H2,16,17,18)
InChIKeyGQCNLGBNBAEMPU-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

2-(2,4-dichlorophenoxy)benzenesulfonamide
CID 2805105
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
CID 107655417
2-bromo-6-(4-bromo-2-chlorophenoxy)benzonitrile
CID 114881579
2-chloro-6-(2-chloro-4-methylphenoxy)aniline
CID 113458741
4-amino-3-(4-bromo-2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82902175
4-(4-bromo-2-chlorophenoxy)-3,5-difluoroaniline
CID 54902585
1-[2-(4-bromo-2-chlorophenoxy)phenyl]ethanone
CID 28880169
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
2-(4-bromo-2-propan-2-ylphenoxy)pyridine-3-sulfonamide
CID 115928526
[4-(4-bromo-2-chlorophenoxy)-3-chlorophenyl]methanamine
CID 63458084
3-amino-2-(4-bromo-2-chlorophenoxy)benzamide
CID 112579736

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide (CID 115993018) is 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide is Nc1c(Oc2ccc(Br)cc2Cl)cccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide?
The InChIKey is GQCNLGBNBAEMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O3S/c13-7-4-5-9(8(14)6-7)19-10-2-1-3-11(12(10)15)20(16,17)18/h1-6H,15H2,(H2,16,17,18).
What are the key properties of 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide?
2-amino-3-(4-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 2-amino-3-(4-bromo-2-chlorophenoxy)benzenesulfonamide is sourced from PubChem (CID 115993018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).