2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol

C14H15NO3S — CID 14547475

IUPAC2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(N)cc2)c(O)c1
InChIInChI=1S/C14H15NO3S/c1-9-7-10(2)14(13(16)8-9)19(17,18)12-5-3-11(15)4-6-12/h3-8,16H,15H2,1-2H3
InChIKeyQZDPCABEDAXCCY-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.42
Rot. Bonds2

About 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol

2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol (PubChem CID 14547475) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol
PubChem CID14547475
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol
SMILESCc1cc(C)c(S(=O)(=O)c2ccc(N)cc2)c(O)c1
InChIInChI=1S/C14H15NO3S/c1-9-7-10(2)14(13(16)8-9)19(17,18)12-5-3-11(15)4-6-12/h3-8,16H,15H2,1-2H3
InChIKeyQZDPCABEDAXCCY-UHFFFAOYSA-N
XLogP2.42
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol (CID 14547475) is 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol is Cc1cc(C)c(S(=O)(=O)c2ccc(N)cc2)c(O)c1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol?
The InChIKey is QZDPCABEDAXCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-7-10(2)14(13(16)8-9)19(17,18)12-5-3-11(15)4-6-12/h3-8,16H,15H2,1-2H3.
What are the key properties of 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol?
2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol has a molecular weight of 277.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-3,5-dimethylphenol is sourced from PubChem (CID 14547475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).