2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide

C13H13BrN2O3S — CID 79467353

IUPAC2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c1-8-2-4-12(10(14)6-8)19-9-3-5-13(11(15)7-9)20(16,17)18/h2-7H,15H2,1H3,(H2,16,17,18)
InChIKeyUZAJKGDENOISFU-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.78
Rot. Bonds3

About 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide

2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide (PubChem CID 79467353) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
PubChem CID79467353
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c(Br)c1
InChIInChI=1S/C13H13BrN2O3S/c1-8-2-4-12(10(14)6-8)19-9-3-5-13(11(15)7-9)20(16,17)18/h2-7H,15H2,1H3,(H2,16,17,18)
InChIKeyUZAJKGDENOISFU-UHFFFAOYSA-N
XLogP2.78
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.78
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-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441
5-(2-bromo-4-methylphenoxy)-2-nitroaniline
CID 106751987
2-amino-4-(4-bromo-2-fluorophenoxy)benzenesulfonamide
CID 79467354
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
4-(2-bromo-4-fluorophenoxy)-2-methylbenzenesulfonamide
CID 43436555
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348
4-(2-bromo-4-methylphenoxy)-2-methylbenzamide
CID 81273209
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
CID 79467005
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide (CID 79467353) is 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide is Cc1ccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c(Br)c1.
What is the InChIKey of 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide?
The InChIKey is UZAJKGDENOISFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-8-2-4-12(10(14)6-8)19-9-3-5-13(11(15)7-9)20(16,17)18/h2-7H,15H2,1H3,(H2,16,17,18).
What are the key properties of 2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide?
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.78, 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-bromo-4-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 79467353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).