2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide

C13H14BrN3O3S — CID 79466769

IUPAC2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
SMILESCOc1ccc(Br)cc1Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H14BrN3O3S/c1-20-12-4-2-8(14)6-11(12)17-9-3-5-13(10(15)7-9)21(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyRIKFCWGYLBWXLD-UHFFFAOYSA-N
MW372.24 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide

2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide (PubChem CID 79466769) has the molecular formula C13H14BrN3O3S and a molecular weight of 372.24 g/mol. Its IUPAC name is 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
PubChem CID79466769
Molecular FormulaC13H14BrN3O3S
Molecular Weight372.24 g/mol
Exact Mass370.99
IUPAC Name2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
SMILESCOc1ccc(Br)cc1Nc1ccc(S(N)(=O)=O)c(N)c1
InChIInChI=1S/C13H14BrN3O3S/c1-20-12-4-2-8(14)6-11(12)17-9-3-5-13(10(15)7-9)21(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19)
InChIKeyRIKFCWGYLBWXLD-UHFFFAOYSA-N
XLogP2.43
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
1-N-(5-bromo-2-methoxyphenyl)-4-methylbenzene-1,3-diamine
CID 62912318
2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
CID 79466509
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
2-amino-3-(3-bromo-4-methoxyanilino)benzenesulfonamide
CID 115992812
4-N-(2,4-dibromophenyl)-2-methoxybenzene-1,4-diamine
CID 63670354
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
5-N-(5-bromo-2-methoxyphenyl)pyridine-3,5-diamine
CID 113423853
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
2-amino-4-(2,4-dibromophenoxy)benzenesulfonamide
CID 79462441

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide (CID 79466769) is 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide is COc1ccc(Br)cc1Nc1ccc(S(N)(=O)=O)c(N)c1.
What is the InChIKey of 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide?
The InChIKey is RIKFCWGYLBWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O3S/c1-20-12-4-2-8(14)6-11(12)17-9-3-5-13(10(15)7-9)21(16,18)19/h2-7,17H,15H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide?
2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide has a molecular weight of 372.24 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide is sourced from PubChem (CID 79466769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).