ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate

C18H21NO4S — CID 8823779

IUPACethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-4-23-18(20)15-6-5-7-16(12-15)19-24(21,22)17-10-8-14(9-11-17)13(2)3/h5-13,19H,4H2,1-3H3
InChIKeyJOKYVVDGDZONPM-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.79
Rot. Bonds6

About ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate

ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate (PubChem CID 8823779) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
PubChem CID8823779
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Nameethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H21NO4S/c1-4-23-18(20)15-6-5-7-16(12-15)19-24(21,22)17-10-8-14(9-11-17)13(2)3/h5-13,19H,4H2,1-3H3
InChIKeyJOKYVVDGDZONPM-UHFFFAOYSA-N
XLogP3.79
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
ethyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate
CID 100694632
ethyl 3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 19683974
ethyl 3-[(4-propan-2-ylbenzoyl)amino]benzoate
CID 1406449
ethyl 3-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzoate
CID 100539948
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
sodium N-(3-ethoxycarbonylphenyl)sulfamate
CID 23679809
4-[3-[(4-ethoxycarbonylphenyl)sulfonylamino]phenyl]-4-oxobutanoic acid
CID 71859116
ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate (CID 8823779) is ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate is CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
The InChIKey is JOKYVVDGDZONPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-4-23-18(20)15-6-5-7-16(12-15)19-24(21,22)17-10-8-14(9-11-17)13(2)3/h5-13,19H,4H2,1-3H3.
What are the key properties of ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate?
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate has a molecular weight of 347.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 8823779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).