[4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate

C19H21NO5S — CID 118202506

IUPAC[4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3
InChIKeyAOYZKUMTEYCRDS-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.64
Rot. Bonds5

About [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate

[4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate (PubChem CID 118202506) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
PubChem CID118202506
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name[4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1
InChIInChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3
InChIKeyAOYZKUMTEYCRDS-UHFFFAOYSA-N
XLogP3.64
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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5-(3-Carboxyphenoxy)-2-(p-tolylsulfonylamino)benzoic acid
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[4-[(2-Formylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202509
[4-[(2-Propanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202510
[4-[(2-Butanoylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118202512
[4-[[2-(2-Hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
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Methyl 2-{[(3-fluoro-4-methoxyphenyl)sulfonyl]amino}benzoate
CID 6473058

Frequently Asked Questions

What is the IUPAC name of [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate (CID 118202506) is [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate is CC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1.
What is the InChIKey of [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
The InChIKey is AOYZKUMTEYCRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-13(21)16-7-5-6-8-17(16)20-26(23,24)15-11-9-14(10-12-15)25-18(22)19(2,3)4/h5-12,20H,1-4H3.
What are the key properties of [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate?
[4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate has a molecular weight of 375.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-acetylphenyl)sulfamoyl]phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 118202506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).