1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone

C11H10ClNO3S — CID 118447336

IUPAC1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C11H10ClNO3S/c1-7(14)10-8-5-3-4-6-9(8)13(11(10)12)17(2,15)16/h3-6H,1-2H3
InChIKeyUUFLKDREHJIZBQ-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.31
Rot. Bonds2

About 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone

1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone (PubChem CID 118447336) has the molecular formula C11H10ClNO3S and a molecular weight of 271.73 g/mol. Its IUPAC name is 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone
PubChem CID118447336
Molecular FormulaC11H10ClNO3S
Molecular Weight271.73 g/mol
Exact Mass271.01
IUPAC Name1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone
SMILESCC(=O)c1c(Cl)n(S(C)(=O)=O)c2ccccc12
InChIInChI=1S/C11H10ClNO3S/c1-7(14)10-8-5-3-4-6-9(8)13(11(10)12)17(2,15)16/h3-6H,1-2H3
InChIKeyUUFLKDREHJIZBQ-UHFFFAOYSA-N
XLogP2.31
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone?
The IUPAC name of 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone (CID 118447336) is 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone?
The canonical SMILES for 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone is CC(=O)c1c(Cl)n(S(C)(=O)=O)c2ccccc12.
What is the InChIKey of 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone?
The InChIKey is UUFLKDREHJIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3S/c1-7(14)10-8-5-3-4-6-9(8)13(11(10)12)17(2,15)16/h3-6H,1-2H3.
What are the key properties of 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone?
1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone has a molecular weight of 271.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1-methylsulfonylindol-3-yl)ethanone is sourced from PubChem (CID 118447336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).