2-amino-5-(3-aminophenyl)sulfonylphenol

C12H12N2O3S — CID 23106831

IUPAC2-amino-5-(3-aminophenyl)sulfonylphenol
SMILESNc1cccc(S(=O)(=O)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C12H12N2O3S/c13-8-2-1-3-9(6-8)18(16,17)10-4-5-11(14)12(15)7-10/h1-7,15H,13-14H2
InChIKeyZLFWMKCTHHDPNQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.39
Rot. Bonds2

About 2-amino-5-(3-aminophenyl)sulfonylphenol

2-amino-5-(3-aminophenyl)sulfonylphenol (PubChem CID 23106831) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-amino-5-(3-aminophenyl)sulfonylphenol.

Molecular Properties

Compound Name2-amino-5-(3-aminophenyl)sulfonylphenol
PubChem CID23106831
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-amino-5-(3-aminophenyl)sulfonylphenol
SMILESNc1cccc(S(=O)(=O)c2ccc(N)c(O)c2)c1
InChIInChI=1S/C12H12N2O3S/c13-8-2-1-3-9(6-8)18(16,17)10-4-5-11(14)12(15)7-10/h1-7,15H,13-14H2
InChIKeyZLFWMKCTHHDPNQ-UHFFFAOYSA-N
XLogP1.39
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)sulfonylbenzene-1,2-diamine;trihydrochloride
CID 19389409
5-(4-amino-3-hydroxyphenyl)sulfonyl-2-methylphenol
CID 165003603
2-amino-5-(4-fluorophenyl)sulfonylphenol
CID 168654683
2-amino-5-(4-methoxyphenyl)sulfonylphenol
CID 168654688
3-aminobenzenesulfonic acid;azane
CID 173113808
bis(3-aminobenzenesulfonic acid);sulfane
CID 175800902
4-(3-aminophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 54172567
3-[2-(3-aminophenyl)sulfonylphenyl]sulfonylaniline
CID 142730592
3-aminophenol;benzenesulfonylbenzene
CID 68932329
4-(4-amino-3-chlorophenyl)sulfanyl-2-chloroaniline;3-(3-aminophenyl)sulfonylaniline
CID 68511209
potassium 3-aminobenzenesulfonate
CID 23716245
2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol;4,6-diaminobenzene-1,3-diol;dihydrochloride
CID 175440287

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-aminophenyl)sulfonylphenol?
The IUPAC name of 2-amino-5-(3-aminophenyl)sulfonylphenol (CID 23106831) is 2-amino-5-(3-aminophenyl)sulfonylphenol.
What is the SMILES notation for 2-amino-5-(3-aminophenyl)sulfonylphenol?
The canonical SMILES for 2-amino-5-(3-aminophenyl)sulfonylphenol is Nc1cccc(S(=O)(=O)c2ccc(N)c(O)c2)c1.
What is the InChIKey of 2-amino-5-(3-aminophenyl)sulfonylphenol?
The InChIKey is ZLFWMKCTHHDPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c13-8-2-1-3-9(6-8)18(16,17)10-4-5-11(14)12(15)7-10/h1-7,15H,13-14H2.
What are the key properties of 2-amino-5-(3-aminophenyl)sulfonylphenol?
2-amino-5-(3-aminophenyl)sulfonylphenol has a molecular weight of 264.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-aminophenyl)sulfonylphenol is sourced from PubChem (CID 23106831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).