methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate

C17H18N2O5S — CID 2676546

IUPACmethyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H18N2O5S/c1-19(2)25(22,23)15-9-7-12(8-10-15)16(20)18-14-6-4-5-13(11-14)17(21)24-3/h4-11H,1-3H3,(H,18,20)
InChIKeyQPVKCLFAJDGRQT-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.98
Rot. Bonds5

About methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate

methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate (PubChem CID 2676546) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
PubChem CID2676546
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Namemethyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C17H18N2O5S/c1-19(2)25(22,23)15-9-7-12(8-10-15)16(20)18-14-6-4-5-13(11-14)17(21)24-3/h4-11H,1-3H3,(H,18,20)
InChIKeyQPVKCLFAJDGRQT-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

methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]benzoate
CID 2676516
N-cyclopropyl-3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzamide
CID 9247210
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
methyl 3-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate
CID 30272715
methyl 3-[(4-cyanobenzoyl)amino]benzoate
CID 2676472
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 3-[[4-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26886837
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-(dimethylsulfamoyl)benzamide
CID 100625475
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-(3-bromophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2221562
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate (CID 2676546) is methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
The InChIKey is QPVKCLFAJDGRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-19(2)25(22,23)15-9-7-12(8-10-15)16(20)18-14-6-4-5-13(11-14)17(21)24-3/h4-11H,1-3H3,(H,18,20).
What are the key properties of methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate?
methyl 3-[[4-(dimethylsulfamoyl)benzoyl]amino]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 3-[[4-(dimethylsulfamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 2676546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).