methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate

C18H21NO4S — CID 92646992

IUPACmethyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate
SMILESCC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-3-17(15-7-5-4-6-8-15)19-24(21,22)13-14-9-11-16(12-10-14)18(20)23-2/h4-12,17,19H,3,13H2,1-2H3/t17-/m1/s1
InChIKeyAZBHINPLFVZWRO-QGZVFWFLSA-N
MW347.44 g/mol
LogP3.04
Rot. Bonds7

About methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate

methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate (PubChem CID 92646992) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate
PubChem CID92646992
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Namemethyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate
SMILESCC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-3-17(15-7-5-4-6-8-15)19-24(21,22)13-14-9-11-16(12-10-14)18(20)23-2/h4-12,17,19H,3,13H2,1-2H3/t17-/m1/s1
InChIKeyAZBHINPLFVZWRO-QGZVFWFLSA-N
XLogP3.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]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 4-[1-(4-methylphenyl)propylsulfamoylmethyl]benzoate
CID 46771538
methyl 4-[[(2S)-butan-2-yl]sulfamoylmethyl]benzoate
CID 28633793
methyl 4-[[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]sulfamoylmethyl]benzoate
CID 93486713
methyl 4-(benzylsulfonylamino)benzoate
CID 743645
methyl 4-[(4-hydroxy-3-methylbutan-2-yl)sulfamoylmethyl]benzoate
CID 115754806
methyl 4-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoylmethyl]benzoate
CID 92646898
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
1-(3-aminophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 62305717
methyl 4-[[(2R)-2-hydroxypropyl]sulfamoylmethyl]benzoate
CID 83030316
bis[(2R)-2-(benzylsulfonylamino)-2-phenylethyl] (E)-but-2-enedioate
CID 126492735
(3R)-3-(benzylsulfonylamino)-3-(4-ethoxyphenyl)propanoic acid
CID 1266545
methyl 4-[(4-benzhydrylpiperazin-1-yl)sulfonylmethyl]benzoate
CID 92682652

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate?
The IUPAC name of methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate (CID 92646992) is methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate.
What is the SMILES notation for methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate?
The canonical SMILES for methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate is CC[C@@H](NS(=O)(=O)Cc1ccc(C(=O)OC)cc1)c1ccccc1.
What is the InChIKey of methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate?
The InChIKey is AZBHINPLFVZWRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-17(15-7-5-4-6-8-15)19-24(21,22)13-14-9-11-16(12-10-14)18(20)23-2/h4-12,17,19H,3,13H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate?
methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate has a molecular weight of 347.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1R)-1-phenylpropyl]sulfamoylmethyl]benzoate is sourced from PubChem (CID 92646992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).