4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide

C13H13BrN2O3S — CID 81438669

IUPAC4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1N
InChIInChI=1S/C13H13BrN2O3S/c1-19-13-8-9(6-7-11(13)15)20(17,18)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyHYTBKZAXQIUPNB-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.84
Rot. Bonds4

About 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide

4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide (PubChem CID 81438669) has the molecular formula C13H13BrN2O3S and a molecular weight of 357.23 g/mol. Its IUPAC name is 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
PubChem CID81438669
Molecular FormulaC13H13BrN2O3S
Molecular Weight357.23 g/mol
Exact Mass355.98
IUPAC Name4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1N
InChIInChI=1S/C13H13BrN2O3S/c1-19-13-8-9(6-7-11(13)15)20(17,18)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3
InChIKeyHYTBKZAXQIUPNB-UHFFFAOYSA-N
XLogP2.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.84
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-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
3-(aminomethyl)-N-(2-bromophenyl)-4-methoxybenzenesulfonamide
CID 106061150
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-amino-N-(2-bromophenyl)-3-nitrobenzenesulfonamide
CID 43348562
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
N-(2-bromophenyl)-2-methoxybenzenesulfonamide
CID 47104314
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
4-amino-3-bromo-N-(2-bromo-5-methylphenyl)benzenesulfonamide
CID 82761297
N-(2-bromophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100729224
3-[(4-amino-3-methoxyphenyl)sulfonylamino]benzenesulfonic acid
CID 54467936

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide (CID 81438669) is 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccccc2Br)ccc1N.
What is the InChIKey of 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide?
The InChIKey is HYTBKZAXQIUPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3S/c1-19-13-8-9(6-7-11(13)15)20(17,18)16-12-5-3-2-4-10(12)14/h2-8,16H,15H2,1H3.
What are the key properties of 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide?
4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81438669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).