benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate

C22H21NO4S — CID 16532328

IUPACbenzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c1-2-23(20-11-7-4-8-12-20)28(25,26)21-15-13-19(14-16-21)22(24)27-17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3
InChIKeyPHECYOZSYHSQTC-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.26
Rot. Bonds7

About benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate

benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate (PubChem CID 16532328) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namebenzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
PubChem CID16532328
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Namebenzyl 4-[ethyl(phenyl)sulfamoyl]benzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C22H21NO4S/c1-2-23(20-11-7-4-8-12-20)28(25,26)21-15-13-19(14-16-21)22(24)27-17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3
InChIKeyPHECYOZSYHSQTC-UHFFFAOYSA-N
XLogP4.26
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(benzylamino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588136
methyl 5-[[4-[ethyl(phenyl)sulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 2587918
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2647341
[2-oxo-2-(propan-2-ylamino)ethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587769
(2-oxo-2-piperidin-1-ylethyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588211
N-ethoxy-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 17481468
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587682
[2-(4-fluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588139
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2587724
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 6600800
benzyl [ethyl(phenyl)sulfamoyl]formate
CID 137443874
4-[ethyl(phenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 4797803

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate (CID 16532328) is benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
The InChIKey is PHECYOZSYHSQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-2-23(20-11-7-4-8-12-20)28(25,26)21-15-13-19(14-16-21)22(24)27-17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3.
What are the key properties of benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate?
benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate has a molecular weight of 395.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[ethyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 16532328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).