5-(difluoromethyl)-7-methylsulfonyl-1H-indazole

C9H8F2N2O2S — CID 164573809

IUPAC5-(difluoromethyl)-7-methylsulfonyl-1H-indazole
SMILESCS(=O)(=O)c1cc(C(F)F)cc2cn[nH]c12
InChIInChI=1S/C9H8F2N2O2S/c1-16(14,15)7-3-5(9(10)11)2-6-4-12-13-8(6)7/h2-4,9H,1H3,(H,12,13)
InChIKeyAPZGKQPXRSKIDR-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.90
Rot. Bonds2

About 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole

5-(difluoromethyl)-7-methylsulfonyl-1H-indazole (PubChem CID 164573809) has the molecular formula C9H8F2N2O2S and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole.

Molecular Properties

Compound Name5-(difluoromethyl)-7-methylsulfonyl-1H-indazole
PubChem CID164573809
Molecular FormulaC9H8F2N2O2S
Molecular Weight246.24 g/mol
Exact Mass246.03
IUPAC Name5-(difluoromethyl)-7-methylsulfonyl-1H-indazole
SMILESCS(=O)(=O)c1cc(C(F)F)cc2cn[nH]c12
InChIInChI=1S/C9H8F2N2O2S/c1-16(14,15)7-3-5(9(10)11)2-6-4-12-13-8(6)7/h2-4,9H,1H3,(H,12,13)
InChIKeyAPZGKQPXRSKIDR-UHFFFAOYSA-N
XLogP1.90
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Methylsulfonyl)-1H-indazole
CID 45598101
N-(1H-indazol-5-ylmethyl)ethenesulfonamide (precursor)
CID 165111567
1H-Indazole-7-sulfonic acid
CID 20397260
5-(3-fluorophenyl)sulfonyl-1H-indazole
CID 10378720
4-(3-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole
CID 71735863
4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole
CID 89784799
4-(2-methylsulfonylphenyl)-6-(trifluoromethyl)-1H-indazole
CID 89794898
5-(3,5-difluorophenyl)sulfonyl-1H-indazole
CID 90274236
N-[4-(trifluoromethyl)phenyl]-1H-indazole-5-sulfonamide
CID 121421653
7-(trifluoromethylsulfonyl)-1H-indazol-4-amine
CID 156459155
4-methyl-7-(trifluoromethylsulfonyl)-1H-indazole
CID 156749509
7-fluoro-5-methyl-4-methylsulfanyl-1H-indazole
CID 164113588

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole?
The IUPAC name of 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole (CID 164573809) is 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole.
What is the SMILES notation for 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole?
The canonical SMILES for 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole is CS(=O)(=O)c1cc(C(F)F)cc2cn[nH]c12.
What is the InChIKey of 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole?
The InChIKey is APZGKQPXRSKIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O2S/c1-16(14,15)7-3-5(9(10)11)2-6-4-12-13-8(6)7/h2-4,9H,1H3,(H,12,13).
What are the key properties of 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole?
5-(difluoromethyl)-7-methylsulfonyl-1H-indazole has a molecular weight of 246.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-7-methylsulfonyl-1H-indazole is sourced from PubChem (CID 164573809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).