4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol

C19H19N3O7S2 — CID 134186097

IUPAC4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(N)cc(-c2cc(O)c(S(=O)(=O)c3cc(N)ccc3O)cc2N)c1O
InChIInChI=1S/C19H19N3O7S2/c1-30(26,27)18-6-10(21)4-12(19(18)25)11-7-15(24)17(8-13(11)22)31(28,29)16-5-9(20)2-3-14(16)23/h2-8,23-25H,20-22H2,1H3
InChIKeyYUSRAQFKXOKNOM-UHFFFAOYSA-N
MW465.51 g/mol
LogP1.45
Rot. Bonds4

About 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol

4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol (PubChem CID 134186097) has the molecular formula C19H19N3O7S2 and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol.

Molecular Properties

Compound Name4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol
PubChem CID134186097
Molecular FormulaC19H19N3O7S2
Molecular Weight465.51 g/mol
Exact Mass465.07
IUPAC Name4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol
SMILESCS(=O)(=O)c1cc(N)cc(-c2cc(O)c(S(=O)(=O)c3cc(N)ccc3O)cc2N)c1O
InChIInChI=1S/C19H19N3O7S2/c1-30(26,27)18-6-10(21)4-12(19(18)25)11-7-15(24)17(8-13(11)22)31(28,29)16-5-9(20)2-3-14(16)23/h2-8,23-25H,20-22H2,1H3
InChIKeyYUSRAQFKXOKNOM-UHFFFAOYSA-N
XLogP1.45
TPSA207.03 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.51
LogP ≤ 51.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol?
The IUPAC name of 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol (CID 134186097) is 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol.
What is the SMILES notation for 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol?
The canonical SMILES for 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol is CS(=O)(=O)c1cc(N)cc(-c2cc(O)c(S(=O)(=O)c3cc(N)ccc3O)cc2N)c1O.
What is the InChIKey of 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol?
The InChIKey is YUSRAQFKXOKNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O7S2/c1-30(26,27)18-6-10(21)4-12(19(18)25)11-7-15(24)17(8-13(11)22)31(28,29)16-5-9(20)2-3-14(16)23/h2-8,23-25H,20-22H2,1H3.
What are the key properties of 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol?
4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol has a molecular weight of 465.51 g/mol, XLogP of 1.45, 4 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-amino-4-(5-amino-2-hydroxyphenyl)sulfonyl-5-hydroxyphenyl]-6-methylsulfonylphenol is sourced from PubChem (CID 134186097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).