5-(3-fluorophenyl)sulfonyl-1H-indazole

C13H9FN2O2S — CID 10378720

IUPAC5-(3-fluorophenyl)sulfonyl-1H-indazole
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H9FN2O2S/c14-10-2-1-3-11(7-10)19(17,18)12-4-5-13-9(6-12)8-15-16-13/h1-8H,(H,15,16)
InChIKeyGAGCTTZYTJSXAP-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.53
Rot. Bonds2

About 5-(3-fluorophenyl)sulfonyl-1H-indazole

5-(3-fluorophenyl)sulfonyl-1H-indazole (PubChem CID 10378720) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonyl-1H-indazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonyl-1H-indazole
PubChem CID10378720
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Name5-(3-fluorophenyl)sulfonyl-1H-indazole
SMILESO=S(=O)(c1cccc(F)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H9FN2O2S/c14-10-2-1-3-11(7-10)19(17,18)12-4-5-13-9(6-12)8-15-16-13/h1-8H,(H,15,16)
InChIKeyGAGCTTZYTJSXAP-UHFFFAOYSA-N
XLogP2.53
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonyl-1H-indazole?
The IUPAC name of 5-(3-fluorophenyl)sulfonyl-1H-indazole (CID 10378720) is 5-(3-fluorophenyl)sulfonyl-1H-indazole.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonyl-1H-indazole?
The canonical SMILES for 5-(3-fluorophenyl)sulfonyl-1H-indazole is O=S(=O)(c1cccc(F)c1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(3-fluorophenyl)sulfonyl-1H-indazole?
The InChIKey is GAGCTTZYTJSXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c14-10-2-1-3-11(7-10)19(17,18)12-4-5-13-9(6-12)8-15-16-13/h1-8H,(H,15,16).
What are the key properties of 5-(3-fluorophenyl)sulfonyl-1H-indazole?
5-(3-fluorophenyl)sulfonyl-1H-indazole has a molecular weight of 276.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)sulfonyl-1H-indazole is sourced from PubChem (CID 10378720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).