(4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate

C19H16N2O5S — CID 24656955

IUPAC(4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate
SMILESCNC(=O)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C19H16N2O5S/c1-20-19(22)14-5-11-17(12-6-14)27(23,24)26-16-9-7-15(8-10-16)25-18-4-2-3-13-21-18/h2-13H,1H3,(H,20,22)
InChIKeyQNRNKVCEIYSAQC-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.00
Rot. Bonds6

About (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate

(4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate (PubChem CID 24656955) has the molecular formula C19H16N2O5S and a molecular weight of 384.41 g/mol. Its IUPAC name is (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate.

Molecular Properties

Compound Name(4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate
PubChem CID24656955
Molecular FormulaC19H16N2O5S
Molecular Weight384.41 g/mol
Exact Mass384.08
IUPAC Name(4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate
SMILESCNC(=O)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1
InChIInChI=1S/C19H16N2O5S/c1-20-19(22)14-5-11-17(12-6-14)27(23,24)26-16-9-7-15(8-10-16)25-18-4-2-3-13-21-18/h2-13H,1H3,(H,20,22)
InChIKeyQNRNKVCEIYSAQC-UHFFFAOYSA-N
XLogP3.00
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate 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

(4-pyridin-2-yloxyphenyl) 3,4-dichlorobenzenesulfonate
CID 24656910
(4-pyridin-2-yloxyphenyl) 5-carbamoyl-1-methylpyrrole-3-sulfonate
CID 55565435
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139
(3-acetylphenyl) 4-(methylcarbamoyl)benzenesulfonate
CID 24525642
(4-pyridin-2-yloxyphenyl) 3-(trifluoromethyl)benzenesulfonate
CID 24656913
pyridin-2-yl 4-ethoxybenzenesulfonate
CID 2139779
2-diazo-1-(4-pyridin-2-yloxyphenyl)propan-1-one
CID 54342882
[3-(tetrazol-1-yl)phenyl] 4-(methylcarbamoyl)benzenesulfonate
CID 24525725
(2R)-3-methyl-2-[[4-(4-pyridin-2-yloxyphenyl)phenyl]sulfonylamino]butanoic acid
CID 58959607
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
1-N-methyl-4-N-pyridin-2-ylbenzene-1,4-dicarboxamide
CID 145416212
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate?
The IUPAC name of (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate (CID 24656955) is (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate.
What is the SMILES notation for (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate?
The canonical SMILES for (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate is CNC(=O)c1ccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)cc1.
What is the InChIKey of (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate?
The InChIKey is QNRNKVCEIYSAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S/c1-20-19(22)14-5-11-17(12-6-14)27(23,24)26-16-9-7-15(8-10-16)25-18-4-2-3-13-21-18/h2-13H,1H3,(H,20,22).
What are the key properties of (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate?
(4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate has a molecular weight of 384.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-yloxyphenyl) 4-(methylcarbamoyl)benzenesulfonate is sourced from PubChem (CID 24656955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).