6-methylsulfonyl-4-phenyl-1H-indazole

C14H12N2O2S — CID 127046586

IUPAC6-methylsulfonyl-4-phenyl-1H-indazole
SMILESCS(=O)(=O)c1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)11-7-12(10-5-3-2-4-6-10)13-9-15-16-14(13)8-11/h2-9H,1H3,(H,15,16)
InChIKeyWSQQTUKKGLYHCD-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.63
Rot. Bonds2

About 6-methylsulfonyl-4-phenyl-1H-indazole

6-methylsulfonyl-4-phenyl-1H-indazole (PubChem CID 127046586) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-methylsulfonyl-4-phenyl-1H-indazole.

Molecular Properties

Compound Name6-methylsulfonyl-4-phenyl-1H-indazole
PubChem CID127046586
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name6-methylsulfonyl-4-phenyl-1H-indazole
SMILESCS(=O)(=O)c1cc(-c2ccccc2)c2cn[nH]c2c1
InChIInChI=1S/C14H12N2O2S/c1-19(17,18)11-7-12(10-5-3-2-4-6-10)13-9-15-16-14(13)8-11/h2-9H,1H3,(H,15,16)
InChIKeyWSQQTUKKGLYHCD-UHFFFAOYSA-N
XLogP2.63
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyrazolo[1,5-b]pyridazine
CID 11725371
N-(1H-indazol-6-yl)-4-methylbenzene-1-sulfonamide
CID 2091314
N-(1H-indazol-6-yl)-3,4-dimethylbenzenesulfonamide
CID 2517424
N-(1H-indazol-5-yl)benzenesulfonamide
CID 4142281
N-(1H-indazol-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 17446157
6-(Methylsulfonyl)-1H-indazole
CID 45598101
4-fluoro-N-(1H-indazol-5-yl)benzenesulfonamide
CID 25048609
N-(1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356006
N-(1H-indazol-5-yl)naphthalene-1-sulfonamide
CID 72735413
4-(3,5-difluorophenyl)-N-(1H-indazol-5-yl)benzenesulfonamide
CID 172459384
6-phenylsulfanyl-1H-indazole
CID 178299643
5-[4-(benzenesulfonyl)phenyl]-1H-pyrazole
CID 2806203

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-4-phenyl-1H-indazole?
The IUPAC name of 6-methylsulfonyl-4-phenyl-1H-indazole (CID 127046586) is 6-methylsulfonyl-4-phenyl-1H-indazole.
What is the SMILES notation for 6-methylsulfonyl-4-phenyl-1H-indazole?
The canonical SMILES for 6-methylsulfonyl-4-phenyl-1H-indazole is CS(=O)(=O)c1cc(-c2ccccc2)c2cn[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-4-phenyl-1H-indazole?
The InChIKey is WSQQTUKKGLYHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-19(17,18)11-7-12(10-5-3-2-4-6-10)13-9-15-16-14(13)8-11/h2-9H,1H3,(H,15,16).
What are the key properties of 6-methylsulfonyl-4-phenyl-1H-indazole?
6-methylsulfonyl-4-phenyl-1H-indazole has a molecular weight of 272.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-4-phenyl-1H-indazole is sourced from PubChem (CID 127046586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).