4-fluoro-1-methylindazole-3-sulfonamide

C8H8FN3O2S — CID 19083148

IUPAC4-fluoro-1-methylindazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)c2c(F)cccc21
InChIInChI=1S/C8H8FN3O2S/c1-12-6-4-2-3-5(9)7(6)8(11-12)15(10,13)14/h2-4H,1H3,(H2,10,13,14)
InChIKeyQUDSFUKRRVOCTM-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.36
Rot. Bonds1

About 4-fluoro-1-methylindazole-3-sulfonamide

4-fluoro-1-methylindazole-3-sulfonamide (PubChem CID 19083148) has the molecular formula C8H8FN3O2S and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-fluoro-1-methylindazole-3-sulfonamide.

Molecular Properties

Compound Name4-fluoro-1-methylindazole-3-sulfonamide
PubChem CID19083148
Molecular FormulaC8H8FN3O2S
Molecular Weight229.24 g/mol
Exact Mass229.03
IUPAC Name4-fluoro-1-methylindazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)c2c(F)cccc21
InChIInChI=1S/C8H8FN3O2S/c1-12-6-4-2-3-5(9)7(6)8(11-12)15(10,13)14/h2-4H,1H3,(H2,10,13,14)
InChIKeyQUDSFUKRRVOCTM-UHFFFAOYSA-N
XLogP0.36
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylindazole-3-sulfonamide?
The IUPAC name of 4-fluoro-1-methylindazole-3-sulfonamide (CID 19083148) is 4-fluoro-1-methylindazole-3-sulfonamide.
What is the SMILES notation for 4-fluoro-1-methylindazole-3-sulfonamide?
The canonical SMILES for 4-fluoro-1-methylindazole-3-sulfonamide is Cn1nc(S(N)(=O)=O)c2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-methylindazole-3-sulfonamide?
The InChIKey is QUDSFUKRRVOCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O2S/c1-12-6-4-2-3-5(9)7(6)8(11-12)15(10,13)14/h2-4H,1H3,(H2,10,13,14).
What are the key properties of 4-fluoro-1-methylindazole-3-sulfonamide?
4-fluoro-1-methylindazole-3-sulfonamide has a molecular weight of 229.24 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylindazole-3-sulfonamide is sourced from PubChem (CID 19083148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).