3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid

C11H15NO5S — CID 43406432

IUPAC3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCON(C)S(=O)(=O)c1cc(C(=O)O)cc(C)c1C
InChIInChI=1S/C11H15NO5S/c1-7-5-9(11(13)14)6-10(8(7)2)18(15,16)12(3)17-4/h5-6H,1-4H3,(H,13,14)
InChIKeyYCAJSAWICMQSHX-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.18
Rot. Bonds4

About 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid

3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid (PubChem CID 43406432) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid.

Molecular Properties

Compound Name3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
PubChem CID43406432
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
SMILESCON(C)S(=O)(=O)c1cc(C(=O)O)cc(C)c1C
InChIInChI=1S/C11H15NO5S/c1-7-5-9(11(13)14)6-10(8(7)2)18(15,16)12(3)17-4/h5-6H,1-4H3,(H,13,14)
InChIKeyYCAJSAWICMQSHX-UHFFFAOYSA-N
XLogP1.18
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-hydroxyethyl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 54876272
3-[butan-2-yl(methyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 43272671
5-bromo-3-[methoxy(methyl)sulfamoyl]-2-methylbenzoic acid
CID 139021803
N-methoxy-N,2,3,5,6-pentamethylbenzenesulfonamide
CID 8798342
3-[cyclopropyl(ethyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 43243323
3-[[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylsulfamoyl]-4,5-dimethylbenzoic acid
CID 166200466
2-[methoxy(methyl)sulfamoyl]benzoic acid
CID 13140209
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 99614970
ethyl 3-(dimethylsulfamoyl)-4,5-dimethylbenzoate
CID 86921528
3-[[4-(dimethylsulfamoyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516597
4-bromo-3-[(2-methoxy-2-oxoethyl)-methylsulfamoyl]-5-methylbenzoic acid
CID 104654475
3-[(3,5-dimethoxyphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 7516474

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The IUPAC name of 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid (CID 43406432) is 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid.
What is the SMILES notation for 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The canonical SMILES for 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid is CON(C)S(=O)(=O)c1cc(C(=O)O)cc(C)c1C.
What is the InChIKey of 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid?
The InChIKey is YCAJSAWICMQSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7-5-9(11(13)14)6-10(8(7)2)18(15,16)12(3)17-4/h5-6H,1-4H3,(H,13,14).
What are the key properties of 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid?
3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid has a molecular weight of 273.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)sulfamoyl]-4,5-dimethylbenzoic acid is sourced from PubChem (CID 43406432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).