methyl 2-methyl-5-(propylsulfamoyl)benzoate

C12H17NO4S — CID 95970856

IUPACmethyl 2-methyl-5-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1
InChIInChI=1S/C12H17NO4S/c1-4-7-13-18(15,16)10-6-5-9(2)11(8-10)12(14)17-3/h5-6,8,13H,4,7H2,1-3H3
InChIKeyHUMUXCVMCSTLLW-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.47
Rot. Bonds5

About methyl 2-methyl-5-(propylsulfamoyl)benzoate

methyl 2-methyl-5-(propylsulfamoyl)benzoate (PubChem CID 95970856) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 2-methyl-5-(propylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(propylsulfamoyl)benzoate
PubChem CID95970856
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Namemethyl 2-methyl-5-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1
InChIInChI=1S/C12H17NO4S/c1-4-7-13-18(15,16)10-6-5-9(2)11(8-10)12(14)17-3/h5-6,8,13H,4,7H2,1-3H3
InChIKeyHUMUXCVMCSTLLW-UHFFFAOYSA-N
XLogP1.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[2-(2-methoxyethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 120717694
methyl 4-[2-(ethylamino)ethylsulfamoyl]-2-methylbenzoate
CID 119973985
methyl 2-methyl-5-(2-phenylsulfanylethylsulfamoyl)benzoate
CID 100695565
methyl 5-(cyclohexylmethylsulfamoyl)-2-methylbenzoate
CID 100566433
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716202
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017
methyl 2-methyl-5-(2,4,4-trimethylpentan-2-ylsulfamoyl)benzoate
CID 100544706
methyl 2-chloro-5-[2-(dimethylamino)ethylsulfamoyl]benzoate
CID 99639450
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716201
methyl 5-amino-2-(propylsulfamoyl)benzoate
CID 113402800
5-(butylsulfamoyl)-N,2-dimethylbenzamide
CID 6464049

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(propylsulfamoyl)benzoate?
The IUPAC name of methyl 2-methyl-5-(propylsulfamoyl)benzoate (CID 95970856) is methyl 2-methyl-5-(propylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-methyl-5-(propylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-methyl-5-(propylsulfamoyl)benzoate is CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1.
What is the InChIKey of methyl 2-methyl-5-(propylsulfamoyl)benzoate?
The InChIKey is HUMUXCVMCSTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-4-7-13-18(15,16)10-6-5-9(2)11(8-10)12(14)17-3/h5-6,8,13H,4,7H2,1-3H3.
What are the key properties of methyl 2-methyl-5-(propylsulfamoyl)benzoate?
methyl 2-methyl-5-(propylsulfamoyl)benzoate has a molecular weight of 271.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(propylsulfamoyl)benzoate is sourced from PubChem (CID 95970856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).