4-fluoro-2-(methylsulfamoylamino)benzoic acid

C8H9FN2O4S — CID 114805322

IUPAC4-fluoro-2-(methylsulfamoylamino)benzoic acid
SMILESCNS(=O)(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C8H9FN2O4S/c1-10-16(14,15)11-7-4-5(9)2-3-6(7)8(12)13/h2-4,10-11H,1H3,(H,12,13)
InChIKeySIPUXIPEPMHMHO-UHFFFAOYSA-N
MW248.23 g/mol
LogP0.40
Rot. Bonds4

About 4-fluoro-2-(methylsulfamoylamino)benzoic acid

4-fluoro-2-(methylsulfamoylamino)benzoic acid (PubChem CID 114805322) has the molecular formula C8H9FN2O4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 4-fluoro-2-(methylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(methylsulfamoylamino)benzoic acid
PubChem CID114805322
Molecular FormulaC8H9FN2O4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name4-fluoro-2-(methylsulfamoylamino)benzoic acid
SMILESCNS(=O)(=O)Nc1cc(F)ccc1C(=O)O
InChIInChI=1S/C8H9FN2O4S/c1-10-16(14,15)11-7-4-5(9)2-3-6(7)8(12)13/h2-4,10-11H,1H3,(H,12,13)
InChIKeySIPUXIPEPMHMHO-UHFFFAOYSA-N
XLogP0.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methylsulfamoylamino)benzoic acid?
The IUPAC name of 4-fluoro-2-(methylsulfamoylamino)benzoic acid (CID 114805322) is 4-fluoro-2-(methylsulfamoylamino)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(methylsulfamoylamino)benzoic acid?
The canonical SMILES for 4-fluoro-2-(methylsulfamoylamino)benzoic acid is CNS(=O)(=O)Nc1cc(F)ccc1C(=O)O.
What is the InChIKey of 4-fluoro-2-(methylsulfamoylamino)benzoic acid?
The InChIKey is SIPUXIPEPMHMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4S/c1-10-16(14,15)11-7-4-5(9)2-3-6(7)8(12)13/h2-4,10-11H,1H3,(H,12,13).
What are the key properties of 4-fluoro-2-(methylsulfamoylamino)benzoic acid?
4-fluoro-2-(methylsulfamoylamino)benzoic acid has a molecular weight of 248.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methylsulfamoylamino)benzoic acid is sourced from PubChem (CID 114805322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).