2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate

C23H21NO6S — CID 30548140

IUPAC2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCCOC(=O)c1ccccc1
InChIInChI=1S/C23H21NO6S/c1-24(19-12-6-3-7-13-19)31(27,28)21-15-9-8-14-20(21)23(26)30-17-16-29-22(25)18-10-4-2-5-11-18/h2-15H,16-17H2,1H3
InChIKeyKVDUJKGYKODZMF-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.53
Rot. Bonds8

About 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate

2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 30548140) has the molecular formula C23H21NO6S and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID30548140
Molecular FormulaC23H21NO6S
Molecular Weight439.49 g/mol
Exact Mass439.11
IUPAC Name2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCCOC(=O)c1ccccc1
InChIInChI=1S/C23H21NO6S/c1-24(19-12-6-3-7-13-19)31(27,28)21-15-9-8-14-20(21)23(26)30-17-16-29-22(25)18-10-4-2-5-11-18/h2-15H,16-17H2,1H3
InChIKeyKVDUJKGYKODZMF-UHFFFAOYSA-N
XLogP3.53
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 42464208
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514831
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514848
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30472941
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514820
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
CID 106934687
2-(2-chlorophenoxy)ethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 2598482
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 119494860
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514793
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 43023323

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate (CID 30548140) is 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate is CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)OCCOC(=O)c1ccccc1.
What is the InChIKey of 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is KVDUJKGYKODZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6S/c1-24(19-12-6-3-7-13-19)31(27,28)21-15-9-8-14-20(21)23(26)30-17-16-29-22(25)18-10-4-2-5-11-18/h2-15H,16-17H2,1H3.
What are the key properties of 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate?
2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 439.49 g/mol, XLogP of 3.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 30548140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).