3-aminophenol;benzenesulfonylbenzene

C18H17NO3S — CID 68932329

IUPAC3-aminophenol;benzenesulfonylbenzene
SMILESNc1cccc(O)c1.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.C6H7NO/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-2-1-3-6(8)4-5/h1-10H;1-4,8H,7H2
InChIKeyGGDGKPPWRGBFMD-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.49
Rot. Bonds2

About 3-aminophenol;benzenesulfonylbenzene

3-aminophenol;benzenesulfonylbenzene (PubChem CID 68932329) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-aminophenol;benzenesulfonylbenzene.

Molecular Properties

Compound Name3-aminophenol;benzenesulfonylbenzene
PubChem CID68932329
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name3-aminophenol;benzenesulfonylbenzene
SMILESNc1cccc(O)c1.O=S(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10O2S.C6H7NO/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-2-1-3-6(8)4-5/h1-10H;1-4,8H,7H2
InChIKeyGGDGKPPWRGBFMD-UHFFFAOYSA-N
XLogP3.49
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.49
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 3-aminophenol;benzenesulfonylbenzene?
The IUPAC name of 3-aminophenol;benzenesulfonylbenzene (CID 68932329) is 3-aminophenol;benzenesulfonylbenzene.
What is the SMILES notation for 3-aminophenol;benzenesulfonylbenzene?
The canonical SMILES for 3-aminophenol;benzenesulfonylbenzene is Nc1cccc(O)c1.O=S(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-aminophenol;benzenesulfonylbenzene?
The InChIKey is GGDGKPPWRGBFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S.C6H7NO/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-2-1-3-6(8)4-5/h1-10H;1-4,8H,7H2.
What are the key properties of 3-aminophenol;benzenesulfonylbenzene?
3-aminophenol;benzenesulfonylbenzene has a molecular weight of 327.41 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminophenol;benzenesulfonylbenzene is sourced from PubChem (CID 68932329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).