5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid

C11H15NO4S — CID 43263312

IUPAC5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
SMILESCCN(C)S(=O)(=O)c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-4-12(3)17(15,16)9-6-5-8(2)10(7-9)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyDKZMWYOJFLFMSI-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.33
Rot. Bonds4

About 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid

5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid (PubChem CID 43263312) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
PubChem CID43263312
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
SMILESCCN(C)S(=O)(=O)c1ccc(C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-4-12(3)17(15,16)9-6-5-8(2)10(7-9)11(13)14/h5-7H,4H2,1-3H3,(H,13,14)
InChIKeyDKZMWYOJFLFMSI-UHFFFAOYSA-N
XLogP1.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 43215455
5-[ethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962258
5-[[2-(ethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 60952208
2-methyl-5-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 43238133
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
2-bromo-5-[methyl(propyl)sulfamoyl]benzoic acid
CID 43271131
5-[2-hydroxypropyl(methyl)sulfamoyl]-2-methylbenzamide
CID 62333140
5-[ethyl-(4-ethylphenyl)sulfanylsulfamoyl]-2-methylbenzoic acid
CID 87745897
5-[[2-(diethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzamide
CID 34040667
5-(diethylsulfamoyl)-2-methylbenzoyl chloride
CID 15639076
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
5-[2-hydroxyethyl(methyl)sulfamoyl]-2-iodobenzoic acid
CID 103962355

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid (CID 43263312) is 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid is CCN(C)S(=O)(=O)c1ccc(C)c(C(=O)O)c1.
What is the InChIKey of 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid?
The InChIKey is DKZMWYOJFLFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-4-12(3)17(15,16)9-6-5-8(2)10(7-9)11(13)14/h5-7H,4H2,1-3H3,(H,13,14).
What are the key properties of 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid?
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 43263312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).