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

C22H21NO4S — CID 2577471

IUPAC(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO4S/c1-17-11-13-18(14-12-17)16-27-22(24)19-7-6-10-21(15-19)28(25,26)23(2)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3
InChIKeyHGSLRTKIMUERRN-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.18
Rot. Bonds6

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

(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 2577471) has the molecular formula C22H21NO4S and a molecular weight of 395.48 g/mol. Its IUPAC name is (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID2577471
Molecular FormulaC22H21NO4S
Molecular Weight395.48 g/mol
Exact Mass395.12
IUPAC Name(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
SMILESCc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1
InChIInChI=1S/C22H21NO4S/c1-17-11-13-18(14-12-17)16-27-22(24)19-7-6-10-21(15-19)28(25,26)23(2)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3
InChIKeyHGSLRTKIMUERRN-UHFFFAOYSA-N
XLogP4.18
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 32698494
(4-methylphenyl)methyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753628
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 27347939
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
(2-cyanophenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2652331
(2-methyl-1,3-thiazol-4-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577675
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-phenylbenzamide
CID 26536520
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
2-chloroprop-2-enyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 27011553
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2407936
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577443
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate (CID 2577471) is (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate is Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1.
What is the InChIKey of (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is HGSLRTKIMUERRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S/c1-17-11-13-18(14-12-17)16-27-22(24)19-7-6-10-21(15-19)28(25,26)23(2)20-8-4-3-5-9-20/h3-15H,16H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate?
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 395.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 2577471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).