4-(4-aminophenyl)sulfonyl-3-methylphenol

C13H13NO3S — CID 14547479

IUPAC4-(4-aminophenyl)sulfonyl-3-methylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H13NO3S/c1-9-8-11(15)4-7-13(9)18(16,17)12-5-2-10(14)3-6-12/h2-8,15H,14H2,1H3
InChIKeyKAXQVOWVMMYCNV-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.12
Rot. Bonds2

About 4-(4-aminophenyl)sulfonyl-3-methylphenol

4-(4-aminophenyl)sulfonyl-3-methylphenol (PubChem CID 14547479) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfonyl-3-methylphenol.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfonyl-3-methylphenol
PubChem CID14547479
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name4-(4-aminophenyl)sulfonyl-3-methylphenol
SMILESCc1cc(O)ccc1S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C13H13NO3S/c1-9-8-11(15)4-7-13(9)18(16,17)12-5-2-10(14)3-6-12/h2-8,15H,14H2,1H3
InChIKeyKAXQVOWVMMYCNV-UHFFFAOYSA-N
XLogP2.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.12
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 4-(4-aminophenyl)sulfonyl-3-methylphenol?
The IUPAC name of 4-(4-aminophenyl)sulfonyl-3-methylphenol (CID 14547479) is 4-(4-aminophenyl)sulfonyl-3-methylphenol.
What is the SMILES notation for 4-(4-aminophenyl)sulfonyl-3-methylphenol?
The canonical SMILES for 4-(4-aminophenyl)sulfonyl-3-methylphenol is Cc1cc(O)ccc1S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfonyl-3-methylphenol?
The InChIKey is KAXQVOWVMMYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-8-11(15)4-7-13(9)18(16,17)12-5-2-10(14)3-6-12/h2-8,15H,14H2,1H3.
What are the key properties of 4-(4-aminophenyl)sulfonyl-3-methylphenol?
4-(4-aminophenyl)sulfonyl-3-methylphenol has a molecular weight of 263.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfonyl-3-methylphenol is sourced from PubChem (CID 14547479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).