3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C11H13FN2O5S — CID 79187069

IUPAC3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O5S/c1-13-10(15)6-14(2)20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZDLPLTAWIOJSBX-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.11
Rot. Bonds5

About 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid

3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 79187069) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID79187069
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1F
InChIInChI=1S/C11H13FN2O5S/c1-13-10(15)6-14(2)20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyZDLPLTAWIOJSBX-UHFFFAOYSA-N
XLogP-0.11
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 79187069) is 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1F.
What is the InChIKey of 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is ZDLPLTAWIOJSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c1-13-10(15)6-14(2)20(18,19)9-4-3-7(11(16)17)5-8(9)12/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 304.30 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 79187069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).