5-(3,5-difluorophenyl)sulfonyl-1H-indazole

C13H8F2N2O2S — CID 90274236

IUPAC5-(3,5-difluorophenyl)sulfonyl-1H-indazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H8F2N2O2S/c14-9-4-10(15)6-12(5-9)20(18,19)11-1-2-13-8(3-11)7-16-17-13/h1-7H,(H,16,17)
InChIKeyRQQWXQYHLXULHV-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.67
Rot. Bonds2

About 5-(3,5-difluorophenyl)sulfonyl-1H-indazole

5-(3,5-difluorophenyl)sulfonyl-1H-indazole (PubChem CID 90274236) has the molecular formula C13H8F2N2O2S and a molecular weight of 294.28 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)sulfonyl-1H-indazole.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)sulfonyl-1H-indazole
PubChem CID90274236
Molecular FormulaC13H8F2N2O2S
Molecular Weight294.28 g/mol
Exact Mass294.03
IUPAC Name5-(3,5-difluorophenyl)sulfonyl-1H-indazole
SMILESO=S(=O)(c1cc(F)cc(F)c1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C13H8F2N2O2S/c14-9-4-10(15)6-12(5-9)20(18,19)11-1-2-13-8(3-11)7-16-17-13/h1-7H,(H,16,17)
InChIKeyRQQWXQYHLXULHV-UHFFFAOYSA-N
XLogP2.67
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2444871
CID 2444871
CID 83696
CID 83696
CID 24763350
CID 24763350
CID 24763351
CID 24763351
CID 24763353
CID 24763353
CID 24763354
CID 24763354
CID 24763355
CID 24763355
CID 164613623
CID 164613623
CID 164617830
CID 164617830
CID 164619084
CID 164619084
CID 164628813
CID 164628813
CID 1507303
CID 1507303

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)sulfonyl-1H-indazole?
The IUPAC name of 5-(3,5-difluorophenyl)sulfonyl-1H-indazole (CID 90274236) is 5-(3,5-difluorophenyl)sulfonyl-1H-indazole.
What is the SMILES notation for 5-(3,5-difluorophenyl)sulfonyl-1H-indazole?
The canonical SMILES for 5-(3,5-difluorophenyl)sulfonyl-1H-indazole is O=S(=O)(c1cc(F)cc(F)c1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 5-(3,5-difluorophenyl)sulfonyl-1H-indazole?
The InChIKey is RQQWXQYHLXULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2S/c14-9-4-10(15)6-12(5-9)20(18,19)11-1-2-13-8(3-11)7-16-17-13/h1-7H,(H,16,17).
What are the key properties of 5-(3,5-difluorophenyl)sulfonyl-1H-indazole?
5-(3,5-difluorophenyl)sulfonyl-1H-indazole has a molecular weight of 294.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)sulfonyl-1H-indazole is sourced from PubChem (CID 90274236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).