2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride

C12H16Cl2N2O5S — CID 19876218

IUPAC2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride
SMILESCl.Cl.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O.O
InChIInChI=1S/C12H12N2O4S.2ClH.H2O/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8;;;/h1-6,15-16H,13-14H2;2*1H;1H2
InChIKeyUUWKLCONUMPWQD-UHFFFAOYSA-N
MW371.24 g/mol
LogP1.11
Rot. Bonds2

About 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride

2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride (PubChem CID 19876218) has the molecular formula C12H16Cl2N2O5S and a molecular weight of 371.24 g/mol. Its IUPAC name is 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride.

Molecular Properties

Compound Name2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride
PubChem CID19876218
Molecular FormulaC12H16Cl2N2O5S
Molecular Weight371.24 g/mol
Exact Mass370.02
IUPAC Name2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride
SMILESCl.Cl.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O.O
InChIInChI=1S/C12H12N2O4S.2ClH.H2O/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8;;;/h1-6,15-16H,13-14H2;2*1H;1H2
InChIKeyUUWKLCONUMPWQD-UHFFFAOYSA-N
XLogP1.11
TPSA158.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride?
The IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride (CID 19876218) is 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride.
What is the SMILES notation for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride?
The canonical SMILES for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride is Cl.Cl.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O.O.
What is the InChIKey of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride?
The InChIKey is UUWKLCONUMPWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S.2ClH.H2O/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8;;;/h1-6,15-16H,13-14H2;2*1H;1H2.
What are the key properties of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride?
2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride has a molecular weight of 371.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrate;dihydrochloride is sourced from PubChem (CID 19876218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).