2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride

C12H13ClN2O4S — CID 139623421

IUPAC2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride
SMILESCl.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12N2O4S.ClH/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;1H
InChIKeyAXCNTROPZRVPNR-UHFFFAOYSA-N
MW316.77 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride

2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride (PubChem CID 139623421) has the molecular formula C12H13ClN2O4S and a molecular weight of 316.77 g/mol. Its IUPAC name is 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride.

Molecular Properties

Compound Name2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride
PubChem CID139623421
Molecular FormulaC12H13ClN2O4S
Molecular Weight316.77 g/mol
Exact Mass316.03
IUPAC Name2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride
SMILESCl.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O
InChIInChI=1S/C12H12N2O4S.ClH/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;1H
InChIKeyAXCNTROPZRVPNR-UHFFFAOYSA-N
XLogP1.52
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 51.52
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;hydrochloride?
The IUPAC name of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride (CID 139623421) is 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride.
What is the SMILES notation for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride?
The canonical SMILES for 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride is Cl.Nc1cc(S(=O)(=O)c2ccc(O)c(N)c2)ccc1O.
What is the InChIKey of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride?
The InChIKey is AXCNTROPZRVPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S.ClH/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;1H.
What are the key properties of 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride?
2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;hydrochloride has a molecular weight of 316.77 g/mol, XLogP of 1.52, 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;hydrochloride is sourced from PubChem (CID 139623421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).