propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

C18H21NO5S — CID 18098378

IUPACpropan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OC(C)C)c2)cc1
InChIInChI=1S/C18H21NO5S/c1-13(2)24-18(20)14-6-5-7-17(12-14)25(21,22)19(3)15-8-10-16(23-4)11-9-15/h5-13H,1-4H3
InChIKeyLGXWSUDRYTVSIX-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.09
Rot. Bonds6

About propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate

propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (PubChem CID 18098378) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
PubChem CID18098378
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namepropan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OC(C)C)c2)cc1
InChIInChI=1S/C18H21NO5S/c1-13(2)24-18(20)14-6-5-7-17(12-14)25(21,22)19(3)15-8-10-16(23-4)11-9-15/h5-13H,1-4H3
InChIKeyLGXWSUDRYTVSIX-UHFFFAOYSA-N
XLogP3.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]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

methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
(3-methylphenyl) 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 7901124
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(1-phenylethyl)benzamide
CID 4802997
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7666906
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
furan-2-ylmethyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2683151
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The IUPAC name of propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate (CID 18098378) is propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)OC(C)C)c2)cc1.
What is the InChIKey of propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
The InChIKey is LGXWSUDRYTVSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-13(2)24-18(20)14-6-5-7-17(12-14)25(21,22)19(3)15-8-10-16(23-4)11-9-15/h5-13H,1-4H3.
What are the key properties of propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate?
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate has a molecular weight of 363.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 18098378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).