(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate

C15H15NO4S — CID 118318708

IUPAC(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate
SMILESCc1ccc(OC(=O)Cc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H15NO4S/c1-11-6-8-13(9-7-11)20-15(17)10-12-4-2-3-5-14(12)21(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKeySDYRZVXRKMFCSS-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.79
Rot. Bonds4

About (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate

(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate (PubChem CID 118318708) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate.

Molecular Properties

Compound Name(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate
PubChem CID118318708
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate
SMILESCc1ccc(OC(=O)Cc2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C15H15NO4S/c1-11-6-8-13(9-7-11)20-15(17)10-12-4-2-3-5-14(12)21(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKeySDYRZVXRKMFCSS-UHFFFAOYSA-N
XLogP1.79
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methylphenyl) butanedioate
CID 14740597
(4-methylphenyl) 2-ethylsulfonylacetate
CID 86219817
(4-methylphenyl) 2-(4-acetyloxyphenyl)acetate
CID 167274281
(4-methylphenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20850942
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 175803772
2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
phenyl 2-(4-methylphenyl)sulfonylacetate
CID 102223782
bis(4-methylphenyl) hexanedioate
CID 521615
(4-methylphenyl) 2-methoxyacetate
CID 142940402
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113
2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
CID 152904860
2-benzylbenzenesulfonamide;methane
CID 175312349

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate?
The IUPAC name of (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate (CID 118318708) is (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate.
What is the SMILES notation for (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate?
The canonical SMILES for (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate is Cc1ccc(OC(=O)Cc2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate?
The InChIKey is SDYRZVXRKMFCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-11-6-8-13(9-7-11)20-15(17)10-12-4-2-3-5-14(12)21(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19).
What are the key properties of (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate?
(4-methylphenyl) 2-(2-sulfamoylphenyl)acetate has a molecular weight of 305.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-(2-sulfamoylphenyl)acetate is sourced from PubChem (CID 118318708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).