4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

C13H10FN3O2S — CID 155424828

IUPAC4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C13H10FN3O2S/c14-9-3-6-11-12(7-9)16-17-13(11)8-1-4-10(5-2-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyPKPLGKVAJMCSQQ-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.02
Rot. Bonds2

About 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide

4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (PubChem CID 155424828) has the molecular formula C13H10FN3O2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
PubChem CID155424828
Molecular FormulaC13H10FN3O2S
Molecular Weight291.31 g/mol
Exact Mass291.05
IUPAC Name4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C13H10FN3O2S/c14-9-3-6-11-12(7-9)16-17-13(11)8-1-4-10(5-2-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
InChIKeyPKPLGKVAJMCSQQ-UHFFFAOYSA-N
XLogP2.02
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide (CID 155424828) is 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-c2n[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
The InChIKey is PKPLGKVAJMCSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S/c14-9-3-6-11-12(7-9)16-17-13(11)8-1-4-10(5-2-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19).
What are the key properties of 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide?
4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide has a molecular weight of 291.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 155424828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).