methyl 2-chloro-5-(dimethylsulfamoyl)benzoate

C10H12ClNO4S — CID 7878754

IUPACmethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C10H12ClNO4S/c1-12(2)17(14,15)7-4-5-9(11)8(6-7)10(13)16-3/h4-6H,1-3H3
InChIKeyOTRHSDALQYFFIV-UHFFFAOYSA-N
MW277.73 g/mol
LogP1.38
Rot. Bonds3

About methyl 2-chloro-5-(dimethylsulfamoyl)benzoate

methyl 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 7878754) has the molecular formula C10H12ClNO4S and a molecular weight of 277.73 g/mol. Its IUPAC name is methyl 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID7878754
Molecular FormulaC10H12ClNO4S
Molecular Weight277.73 g/mol
Exact Mass277.02
IUPAC Namemethyl 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCOC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C10H12ClNO4S/c1-12(2)17(14,15)7-4-5-9(11)8(6-7)10(13)16-3/h4-6H,1-3H3
InChIKeyOTRHSDALQYFFIV-UHFFFAOYSA-N
XLogP1.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-chloro-5-(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 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of methyl 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 7878754) is methyl 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-chloro-5-(dimethylsulfamoyl)benzoate is COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is OTRHSDALQYFFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S/c1-12(2)17(14,15)7-4-5-9(11)8(6-7)10(13)16-3/h4-6H,1-3H3.
What are the key properties of methyl 2-chloro-5-(dimethylsulfamoyl)benzoate?
methyl 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 277.73 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 7878754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).