propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate

C17H19NO5S — CID 35468470

IUPACpropan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)OC(C)C)c1
InChIInChI=1S/C17H19NO5S/c1-12(2)23-17(19)13-7-6-8-14(11-13)24(20,21)18-15-9-4-5-10-16(15)22-3/h4-12,18H,1-3H3
InChIKeyWPCNIBZNWRKCMG-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.06
Rot. Bonds6

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

propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 35468470) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID35468470
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namepropan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)OC(C)C)c1
InChIInChI=1S/C17H19NO5S/c1-12(2)23-17(19)13-7-6-8-14(11-13)24(20,21)18-15-9-4-5-10-16(15)22-3/h4-12,18H,1-3H3
InChIKeyWPCNIBZNWRKCMG-UHFFFAOYSA-N
XLogP3.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]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

N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2436859
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 42977693
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
CID 30768646
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
3-(1-hydroxyethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 42946409
(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43039121
[(2S)-1-[2-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-1-oxopropan-2-yl]urea
CID 2520940
N-[(2R)-2-(ethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 120653897
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-(3-hydroxy-5-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 75452209

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 35468470) is propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is WPCNIBZNWRKCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-12(2)23-17(19)13-7-6-8-14(11-13)24(20,21)18-15-9-4-5-10-16(15)22-3/h4-12,18H,1-3H3.
What are the key properties of propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate?
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 349.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 35468470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).