[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

C22H17ClN2O6S — CID 16569415

IUPAC[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C22H17ClN2O6S/c23-18-11-8-16(12-20(18)32(24,29)30)22(28)31-13-19(26)14-6-9-17(10-7-14)25-21(27)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,27)(H2,24,29,30)
InChIKeyWQSCVCZLOZHCJX-UHFFFAOYSA-N
MW472.91 g/mol
LogP3.28
Rot. Bonds7

About [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate

[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (PubChem CID 16569415) has the molecular formula C22H17ClN2O6S and a molecular weight of 472.91 g/mol. Its IUPAC name is [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
PubChem CID16569415
Molecular FormulaC22H17ClN2O6S
Molecular Weight472.91 g/mol
Exact Mass472.05
IUPAC Name[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
SMILESNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1Cl
InChIInChI=1S/C22H17ClN2O6S/c23-18-11-8-16(12-20(18)32(24,29)30)22(28)31-13-19(26)14-6-9-17(10-7-14)25-21(27)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,27)(H2,24,29,30)
InChIKeyWQSCVCZLOZHCJX-UHFFFAOYSA-N
XLogP3.28
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.91
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568901
[2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568897
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
phenacyl 4-[(4-bromobenzoyl)amino]benzoate
CID 2265866
N-(4-tert-butylphenyl)-4-chloro-3-sulfamoylbenzamide
CID 9413612
[2-(4-benzamidophenyl)-2-oxoethyl] 3-(dimethylamino)benzoate
CID 7569925
[2-(3,4-dimethylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615177
(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate
CID 41423260
4-chloro-N-(4-propan-2-ylphenyl)-3-sulfamoylbenzamide
CID 24641042
[2-(2-benzylanilino)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 55317751
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The IUPAC name of [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate (CID 16569415) is [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate.
What is the SMILES notation for [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The canonical SMILES for [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is NS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)ccc1Cl.
What is the InChIKey of [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
The InChIKey is WQSCVCZLOZHCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O6S/c23-18-11-8-16(12-20(18)32(24,29)30)22(28)31-13-19(26)14-6-9-17(10-7-14)25-21(27)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,27)(H2,24,29,30).
What are the key properties of [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate?
[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate has a molecular weight of 472.91 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate is sourced from PubChem (CID 16569415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).