(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate

C23H21NO6S — CID 42464208

IUPAC(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H21NO6S/c1-24(19-8-4-3-5-9-19)31(27,28)21-11-7-6-10-20(21)23(26)30-16-17-12-14-18(15-13-17)22(25)29-2/h3-15H,16H2,1-2H3
InChIKeyRZMRLSYQVPTGHE-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.66
Rot. Bonds7

About (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate

(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate (PubChem CID 42464208) has the molecular formula C23H21NO6S and a molecular weight of 439.49 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
PubChem CID42464208
Molecular FormulaC23H21NO6S
Molecular Weight439.49 g/mol
Exact Mass439.11
IUPAC Name(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C23H21NO6S/c1-24(19-8-4-3-5-9-19)31(27,28)21-11-7-6-10-20(21)23(26)30-16-17-12-14-18(15-13-17)22(25)29-2/h3-15H,16H2,1-2H3
InChIKeyRZMRLSYQVPTGHE-UHFFFAOYSA-N
XLogP3.66
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzoyloxyethyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30548140
[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514831
methyl 2-[methyl(pyridin-4-yl)sulfamoyl]benzoate
CID 106934687
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 30472941
4-O-benzyl 1-O-methyl benzene-1,4-dicarboxylate
CID 595908
(4-methoxycarbonylphenyl)methyl 2-(methanesulfonamido)benzoate
CID 27910928
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
(5-phenyl-1,3-oxazol-2-yl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514820
[4-(phenylcarbamoyl)phenyl]methyl 2-methylsulfonylbenzoate
CID 7724467
(2-oxo-2-piperidin-1-ylethyl) 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514848
pyridin-3-ylmethyl 4-[methyl(phenyl)sulfamoyl]benzoate
CID 18083751
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The IUPAC name of (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate (CID 42464208) is (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate.
What is the SMILES notation for (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The canonical SMILES for (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate is COC(=O)c1ccc(COC(=O)c2ccccc2S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
The InChIKey is RZMRLSYQVPTGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6S/c1-24(19-8-4-3-5-9-19)31(27,28)21-11-7-6-10-20(21)23(26)30-16-17-12-14-18(15-13-17)22(25)29-2/h3-15H,16H2,1-2H3.
What are the key properties of (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate?
(4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate has a molecular weight of 439.49 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl)methyl 2-[methyl(phenyl)sulfamoyl]benzoate is sourced from PubChem (CID 42464208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).