2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one

C12H14N2O3S — CID 118442187

IUPAC2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one
SMILESCC(C)C(=O)c1nn(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C12H14N2O3S/c1-8(2)12(15)11-9-6-4-5-7-10(9)14(13-11)18(3,16)17/h4-8H,1-3H3
InChIKeyDFOMBZNYYRSKKO-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.68
Rot. Bonds3

About 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one

2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one (PubChem CID 118442187) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one
PubChem CID118442187
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one
SMILESCC(C)C(=O)c1nn(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C12H14N2O3S/c1-8(2)12(15)11-9-6-4-5-7-10(9)14(13-11)18(3,16)17/h4-8H,1-3H3
InChIKeyDFOMBZNYYRSKKO-UHFFFAOYSA-N
XLogP1.68
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one (CID 118442187) is 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one is CC(C)C(=O)c1nn(S(C)(=O)=O)c2ccccc12.
What is the InChIKey of 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one?
The InChIKey is DFOMBZNYYRSKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-8(2)12(15)11-9-6-4-5-7-10(9)14(13-11)18(3,16)17/h4-8H,1-3H3.
What are the key properties of 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one?
2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one has a molecular weight of 266.32 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-methylsulfonylindazol-3-yl)propan-1-one is sourced from PubChem (CID 118442187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).