methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate

C22H21NO4S — CID 133228972

IUPACmethyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C22H21NO4S/c1-16-9-6-7-14-20(16)21(17-10-4-3-5-11-17)23-28(25,26)19-13-8-12-18(15-19)22(24)27-2/h3-15,21,23H,1-2H3
InChIKeyDBDUKYMCPGFSJP-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.85
Rot. Bonds6

About methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate

methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate (PubChem CID 133228972) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
PubChem CID133228972
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Namemethyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2C)c1
InChIInChI=1S/C22H21NO4S/c1-16-9-6-7-14-20(16)21(17-10-4-3-5-11-17)23-28(25,26)19-13-8-12-18(15-19)22(24)27-2/h3-15,21,23H,1-2H3
InChIKeyDBDUKYMCPGFSJP-UHFFFAOYSA-N
XLogP3.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[(2-methylphenyl)-phenylmethyl]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

methyl 3-[1-(2-methylphenyl)ethylsulfamoyl]benzoate
CID 51335463
methyl 2-chloro-5-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate
CID 100657490
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(methylsulfamoyl)benzamide
CID 100621234
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
methyl 3-[(2-methyl-6-propan-2-ylphenyl)sulfamoyl]benzoate
CID 99582827
N-[4-[[(R)-(2-methylphenyl)-phenylmethyl]sulfamoyl]phenyl]acetamide
CID 94027039
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
methyl 3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]sulfamoyl]benzoate
CID 42888408
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate (CID 133228972) is methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2C)c1.
What is the InChIKey of methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate?
The InChIKey is DBDUKYMCPGFSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-16-9-6-7-14-20(16)21(17-10-4-3-5-11-17)23-28(25,26)19-13-8-12-18(15-19)22(24)27-2/h3-15,21,23H,1-2H3.
What are the key properties of methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate?
methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate has a molecular weight of 395.48 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2-methylphenyl)-phenylmethyl]sulfamoyl]benzoate is sourced from PubChem (CID 133228972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).