(3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one

C17H16ClNO3S — CID 135025861

IUPAC(3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H16ClNO3S/c1-17(11-23(21,22)13-9-7-12(18)8-10-13)14-5-3-4-6-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKeyLXECENUGCIBRCQ-QGZVFWFLSA-N
MW349.84 g/mol
LogP3.05
Rot. Bonds3

About (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one

(3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one (PubChem CID 135025861) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one
PubChem CID135025861
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name(3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one
SMILESCN1C(=O)[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C17H16ClNO3S/c1-17(11-23(21,22)13-9-7-12(18)8-10-13)14-5-3-4-6-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3/t17-/m1/s1
InChIKeyLXECENUGCIBRCQ-QGZVFWFLSA-N
XLogP3.05
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one?
The IUPAC name of (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one (CID 135025861) is (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one.
What is the SMILES notation for (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one?
The canonical SMILES for (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one is CN1C(=O)[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one?
The InChIKey is LXECENUGCIBRCQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-17(11-23(21,22)13-9-7-12(18)8-10-13)14-5-3-4-6-15(14)19(2)16(17)20/h3-10H,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one?
(3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one has a molecular weight of 349.84 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-chlorophenyl)sulfonylmethyl]-1,3-dimethylindol-2-one is sourced from PubChem (CID 135025861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).