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

C11H13FN2O5S — CID 102919424

IUPAC4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C11H13FN2O5S/c1-13-10(15)6-14(2)20(18,19)9-5-7(12)3-4-8(9)11(16)17/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMTDNACLYDNKNGP-UHFFFAOYSA-N
MW304.30 g/mol
LogP-0.11
Rot. Bonds5

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

4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 102919424) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID102919424
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1C(=O)O
InChIInChI=1S/C11H13FN2O5S/c1-13-10(15)6-14(2)20(18,19)9-5-7(12)3-4-8(9)11(16)17/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyMTDNACLYDNKNGP-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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Related Compounds

4-amino-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 102930931
4-fluoro-2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 102919575
2-[(2-ethoxy-2-oxoethyl)-methylsulfamoyl]-4-fluorobenzoic acid
CID 102919494
2,4-dichloro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215462
3,4-difluoro-5-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 105112021
2-[ethyl(2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919413
2-[cyclopentyl(methyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919407
4-fluoro-2-methylsulfonylbenzoic acid
CID 54524852
4-fluoro-2-[methyl(pyridin-4-yl)sulfamoyl]benzoic acid
CID 106934695
2-[(2-fluoro-4,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 35310374
4-methoxy-3-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43215464
4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 102919424) is 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CNC(=O)CN(C)S(=O)(=O)c1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is MTDNACLYDNKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c1-13-10(15)6-14(2)20(18,19)9-5-7(12)3-4-8(9)11(16)17/h3-5H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
4-fluoro-2-[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 4-fluoro-2-[methyl-[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 102919424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).