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

C13H12Br2N2O3S — CID 81397536

IUPAC5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H12Br2N2O3S/c1-20-12-6-10(15)11(16)7-13(12)21(18,19)17-9-4-2-3-8(14)5-9/h2-7,17H,16H2,1H3
InChIKeyGBIIDDIVMHFPRS-UHFFFAOYSA-N
MW436.13 g/mol
LogP3.60
Rot. Bonds4

About 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide

5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide (PubChem CID 81397536) has the molecular formula C13H12Br2N2O3S and a molecular weight of 436.13 g/mol. Its IUPAC name is 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
PubChem CID81397536
Molecular FormulaC13H12Br2N2O3S
Molecular Weight436.13 g/mol
Exact Mass433.89
IUPAC Name5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)c(N)cc1S(=O)(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H12Br2N2O3S/c1-20-12-6-10(15)11(16)7-13(12)21(18,19)17-9-4-2-3-8(14)5-9/h2-7,17H,16H2,1H3
InChIKeyGBIIDDIVMHFPRS-UHFFFAOYSA-N
XLogP3.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.13
LogP ≤ 53.60
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-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
5-(aminomethyl)-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 106061488
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
5-amino-4-bromo-N-ethyl-2-methoxybenzenesulfonamide
CID 81414565
5-amino-N-(3-bromophenyl)-2-ethoxybenzenesulfonamide
CID 43662937
2-amino-5-bromo-N-(3-bromophenyl)-4-fluorobenzenesulfonamide
CID 106491258
5-amino-4-bromo-N-(1-ethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 81396831
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943
5-bromo-N-(3-ethylphenyl)-2-methoxybenzenesulfonamide
CID 26979755
5-amino-4-bromo-N-(1,3-dimethylpyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 102803478

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide (CID 81397536) is 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide is COc1cc(Br)c(N)cc1S(=O)(=O)Nc1cccc(Br)c1.
What is the InChIKey of 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is GBIIDDIVMHFPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O3S/c1-20-12-6-10(15)11(16)7-13(12)21(18,19)17-9-4-2-3-8(14)5-9/h2-7,17H,16H2,1H3.
What are the key properties of 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide?
5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 436.13 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-(3-bromophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 81397536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).