methyl 3-(dimethylsulfamoyl)benzoate

C10H13NO4S — CID 1262217

IUPACmethyl 3-(dimethylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H13NO4S/c1-11(2)16(13,14)9-6-4-5-8(7-9)10(12)15-3/h4-7H,1-3H3
InChIKeyTZKDPBATMOYEBO-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.72
Rot. Bonds3

About methyl 3-(dimethylsulfamoyl)benzoate

methyl 3-(dimethylsulfamoyl)benzoate (PubChem CID 1262217) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is methyl 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(dimethylsulfamoyl)benzoate
PubChem CID1262217
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Namemethyl 3-(dimethylsulfamoyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C10H13NO4S/c1-11(2)16(13,14)9-6-4-5-8(7-9)10(12)15-3/h4-7H,1-3H3
InChIKeyTZKDPBATMOYEBO-UHFFFAOYSA-N
XLogP0.72
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-(dimethylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of methyl 3-(dimethylsulfamoyl)benzoate (CID 1262217) is methyl 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for methyl 3-(dimethylsulfamoyl)benzoate is COC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of methyl 3-(dimethylsulfamoyl)benzoate?
The InChIKey is TZKDPBATMOYEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-11(2)16(13,14)9-6-4-5-8(7-9)10(12)15-3/h4-7H,1-3H3.
What are the key properties of methyl 3-(dimethylsulfamoyl)benzoate?
methyl 3-(dimethylsulfamoyl)benzoate has a molecular weight of 243.28 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 1262217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).