azane;2-phenoxybenzenesulfonic acid

C12H13NO4S — CID 173031156

IUPACazane;2-phenoxybenzenesulfonic acid
SMILESN.O=S(=O)(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C12H10O4S.H3N/c13-17(14,15)12-9-5-4-8-11(12)16-10-6-2-1-3-7-10;/h1-9H,(H,13,14,15);1H3
InChIKeyNQLAKPVWOMLXOH-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.89
Rot. Bonds3

About azane;2-phenoxybenzenesulfonic acid

azane;2-phenoxybenzenesulfonic acid (PubChem CID 173031156) has the molecular formula C12H13NO4S and a molecular weight of 267.31 g/mol. Its IUPAC name is azane;2-phenoxybenzenesulfonic acid.

Molecular Properties

Compound Nameazane;2-phenoxybenzenesulfonic acid
PubChem CID173031156
Molecular FormulaC12H13NO4S
Molecular Weight267.31 g/mol
Exact Mass267.06
IUPAC Nameazane;2-phenoxybenzenesulfonic acid
SMILESN.O=S(=O)(O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C12H10O4S.H3N/c13-17(14,15)12-9-5-4-8-11(12)16-10-6-2-1-3-7-10;/h1-9H,(H,13,14,15);1H3
InChIKeyNQLAKPVWOMLXOH-UHFFFAOYSA-N
XLogP2.89
TPSA98.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze azane;2-phenoxybenzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
CID 175093945
5-methyl-2-phenoxybenzenesulfonic acid
CID 150904411
azane;phenoxybenzene;sulfuric acid
CID 66973780
1-ethylsulfonyl-2-phenoxybenzene
CID 122651417
2-carboxyoxybenzenesulfonic acid
CID 18950115
2-methylsulfonyloxybenzenesulfonic acid
CID 14317974
2-(2-bromopropan-2-yloxy)benzenesulfonic acid;hydrochloride
CID 174951695
2-(2-prop-2-enoxysulfonylphenoxy)benzenesulfonic acid
CID 88714985
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
potassium;2-formyloxybenzenesulfonic acid;hydride
CID 174717304
2-(4-chlorophenoxy)benzenesulfonyl chloride
CID 18687924
3-decyl-2-hydroxy-4-phenoxybenzenesulfonic acid
CID 101294970

Frequently Asked Questions

What is the IUPAC name of azane;2-phenoxybenzenesulfonic acid?
The IUPAC name of azane;2-phenoxybenzenesulfonic acid (CID 173031156) is azane;2-phenoxybenzenesulfonic acid.
What is the SMILES notation for azane;2-phenoxybenzenesulfonic acid?
The canonical SMILES for azane;2-phenoxybenzenesulfonic acid is N.O=S(=O)(O)c1ccccc1Oc1ccccc1.
What is the InChIKey of azane;2-phenoxybenzenesulfonic acid?
The InChIKey is NQLAKPVWOMLXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S.H3N/c13-17(14,15)12-9-5-4-8-11(12)16-10-6-2-1-3-7-10;/h1-9H,(H,13,14,15);1H3.
What are the key properties of azane;2-phenoxybenzenesulfonic acid?
azane;2-phenoxybenzenesulfonic acid has a molecular weight of 267.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-phenoxybenzenesulfonic acid is sourced from PubChem (CID 173031156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).