methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate

C19H21NO4S — CID 35403081

IUPACmethyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C19H21NO4S/c1-14-6-8-15(9-7-14)13-20(17-10-11-17)25(22,23)18-5-3-4-16(12-18)19(21)24-2/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyWEWAUVUENBFOKL-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.13
Rot. Bonds6

About methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate

methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate (PubChem CID 35403081) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
PubChem CID35403081
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Namemethyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CC2)c1
InChIInChI=1S/C19H21NO4S/c1-14-6-8-15(9-7-14)13-20(17-10-11-17)25(22,23)18-5-3-4-16(12-18)19(21)24-2/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyWEWAUVUENBFOKL-UHFFFAOYSA-N
XLogP3.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]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

dimethyl 5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]sulfamoyl]benzene-1,3-dicarboxylate
CID 24511103
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 9189457
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-(diethylsulfamoyl)benzamide
CID 46592089
3-[(3-acetylphenyl)sulfonyl-cyclopropylamino]propanoic acid
CID 60718163
methyl 3-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzoate
CID 47034018
N-cyclopropyl-N-(2-methoxyethyl)-3-propanoylbenzenesulfonamide
CID 61251839
methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
CID 26540361
4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679199
methyl 3-[bromo(ethyl)sulfamoyl]benzoate
CID 155615787
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate (CID 35403081) is methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(C)cc2)C2CC2)c1.
What is the InChIKey of methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate?
The InChIKey is WEWAUVUENBFOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-14-6-8-15(9-7-14)13-20(17-10-11-17)25(22,23)18-5-3-4-16(12-18)19(21)24-2/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate?
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate has a molecular weight of 359.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate is sourced from PubChem (CID 35403081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).