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

C17H18N2O5S — CID 24629326

IUPACmethyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(2)16(20)13-5-4-6-14(11-13)18-25(22,23)15-9-7-12(8-10-15)17(21)24-3/h4-11,18H,1-3H3
InChIKeyIWHBSSMDIKPUOG-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.98
Rot. Bonds5

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

methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate (PubChem CID 24629326) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
PubChem CID24629326
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C17H18N2O5S/c1-19(2)16(20)13-5-4-6-14(11-13)18-25(22,23)15-9-7-12(8-10-15)17(21)24-3/h4-11,18H,1-3H3
InChIKeyIWHBSSMDIKPUOG-UHFFFAOYSA-N
XLogP1.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629312
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
N,N-dimethyl-3-[(4-nitrophenyl)sulfonylamino]benzamide
CID 24629243
3-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629283
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
4-[(3-acetamidophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 110676906
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24629266
3-[[4-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]-N,N-dimethylbenzamide
CID 30379129
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
N,N-dimethyl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 171822680
methyl 3-[(4-cyclopentyloxyphenyl)sulfonylamino]benzoate
CID 110424099

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate (CID 24629326) is methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate?
The InChIKey is IWHBSSMDIKPUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-19(2)16(20)13-5-4-6-14(11-13)18-25(22,23)15-9-7-12(8-10-15)17(21)24-3/h4-11,18H,1-3H3.
What are the key properties of methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate?
methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate has a molecular weight of 362.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(dimethylcarbamoyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 24629326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).