2-(2-fluoro-4-sulfamoylanilino)acetic acid

C8H9FN2O4S — CID 60713149

IUPAC2-(2-fluoro-4-sulfamoylanilino)acetic acid
SMILESNS(=O)(=O)c1ccc(NCC(=O)O)c(F)c1
InChIInChI=1S/C8H9FN2O4S/c9-6-3-5(16(10,14)15)1-2-7(6)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H2,10,14,15)
InChIKeyWUXRDQUQDNCISD-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.03
Rot. Bonds4

About 2-(2-fluoro-4-sulfamoylanilino)acetic acid

2-(2-fluoro-4-sulfamoylanilino)acetic acid (PubChem CID 60713149) has the molecular formula C8H9FN2O4S and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-(2-fluoro-4-sulfamoylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-sulfamoylanilino)acetic acid
PubChem CID60713149
Molecular FormulaC8H9FN2O4S
Molecular Weight248.23 g/mol
Exact Mass248.03
IUPAC Name2-(2-fluoro-4-sulfamoylanilino)acetic acid
SMILESNS(=O)(=O)c1ccc(NCC(=O)O)c(F)c1
InChIInChI=1S/C8H9FN2O4S/c9-6-3-5(16(10,14)15)1-2-7(6)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H2,10,14,15)
InChIKeyWUXRDQUQDNCISD-UHFFFAOYSA-N
XLogP-0.03
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-sulfamoylanilino)acetic acid?
The IUPAC name of 2-(2-fluoro-4-sulfamoylanilino)acetic acid (CID 60713149) is 2-(2-fluoro-4-sulfamoylanilino)acetic acid.
What is the SMILES notation for 2-(2-fluoro-4-sulfamoylanilino)acetic acid?
The canonical SMILES for 2-(2-fluoro-4-sulfamoylanilino)acetic acid is NS(=O)(=O)c1ccc(NCC(=O)O)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-sulfamoylanilino)acetic acid?
The InChIKey is WUXRDQUQDNCISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O4S/c9-6-3-5(16(10,14)15)1-2-7(6)11-4-8(12)13/h1-3,11H,4H2,(H,12,13)(H2,10,14,15).
What are the key properties of 2-(2-fluoro-4-sulfamoylanilino)acetic acid?
2-(2-fluoro-4-sulfamoylanilino)acetic acid has a molecular weight of 248.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-sulfamoylanilino)acetic acid is sourced from PubChem (CID 60713149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).