methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate

C23H21NO7S — CID 30768646

IUPACmethyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1
InChIInChI=1S/C23H21NO7S/c1-29-21-12-4-3-11-20(21)24-32(27,28)19-10-6-9-18(14-19)23(26)31-15-16-7-5-8-17(13-16)22(25)30-2/h3-14,24H,15H2,1-2H3
InChIKeyRCMYSBYZFDILKV-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.64
Rot. Bonds8

About methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate

methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate (PubChem CID 30768646) has the molecular formula C23H21NO7S and a molecular weight of 455.49 g/mol. Its IUPAC name is methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
PubChem CID30768646
Molecular FormulaC23H21NO7S
Molecular Weight455.49 g/mol
Exact Mass455.10
IUPAC Namemethyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1
InChIInChI=1S/C23H21NO7S/c1-29-21-12-4-3-11-20(21)24-32(27,28)19-10-6-9-18(14-19)23(26)31-15-16-7-5-8-17(13-16)22(25)30-2/h3-14,24H,15H2,1-2H3
InChIKeyRCMYSBYZFDILKV-UHFFFAOYSA-N
XLogP3.64
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-carbamoylphenyl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43039121
propan-2-yl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 35468470
N-benzyl-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2329574
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
methyl 3-[[2-(2,2,2-trifluoroethoxy)phenyl]sulfamoyl]benzoate
CID 25331588
[2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43012374
3-[(furan-2-carbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2084798
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 43039120
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
3-[(2-methoxyphenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 51163765
N-(2-methoxyphenyl)-3-[(2-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 24622460
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate?
The IUPAC name of methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate (CID 30768646) is methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate?
The canonical SMILES for methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate is COC(=O)c1cccc(COC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)c1.
What is the InChIKey of methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate?
The InChIKey is RCMYSBYZFDILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO7S/c1-29-21-12-4-3-11-20(21)24-32(27,28)19-10-6-9-18(14-19)23(26)31-15-16-7-5-8-17(13-16)22(25)30-2/h3-14,24H,15H2,1-2H3.
What are the key properties of methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate?
methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate has a molecular weight of 455.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]oxymethyl]benzoate is sourced from PubChem (CID 30768646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).