6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one

C12H14ClNO4S — CID 104521145

IUPAC6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C(O)c1cc2c(cc1Cl)NC(=O)C2)S(C)(=O)=O
InChIInChI=1S/C12H14ClNO4S/c1-6(19(2,17)18)12(16)8-3-7-4-11(15)14-10(7)5-9(8)13/h3,5-6,12,16H,4H2,1-2H3,(H,14,15)
InChIKeyYAINANWWBJUBGF-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.30
Rot. Bonds3

About 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one

6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one (PubChem CID 104521145) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
PubChem CID104521145
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one
SMILESCC(C(O)c1cc2c(cc1Cl)NC(=O)C2)S(C)(=O)=O
InChIInChI=1S/C12H14ClNO4S/c1-6(19(2,17)18)12(16)8-3-7-4-11(15)14-10(7)5-9(8)13/h3,5-6,12,16H,4H2,1-2H3,(H,14,15)
InChIKeyYAINANWWBJUBGF-UHFFFAOYSA-N
XLogP1.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
5-[(1S)-1-aminoethyl]-6-chloro-1,3-dihydroindol-2-one
CID 82758304
6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
6-chloro-5-(1-chloro-3-methylbutyl)-1,3-dihydroindol-2-one
CID 61083849
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-(3,3,3-trifluoro-1-hydroxypropyl)-1,3-dihydroindol-2-one
CID 61082063
6-chloro-5-[2-(4-chlorophenyl)-1-hydroxyethyl]-1,3-dihydroindol-2-one
CID 61080710
6-chloro-5-[(4-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 63210472
6-chloro-N-(2-hydroxypropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 43502382
6-chloro-5-[(2-fluoro-3-methylphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 81480901
6-chloro-5-[(5-chlorothiophen-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 55050628
5-[(2-bromophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 61082666

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one (CID 104521145) is 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one is CC(C(O)c1cc2c(cc1Cl)NC(=O)C2)S(C)(=O)=O.
What is the InChIKey of 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one?
The InChIKey is YAINANWWBJUBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-6(19(2,17)18)12(16)8-3-7-4-11(15)14-10(7)5-9(8)13/h3,5-6,12,16H,4H2,1-2H3,(H,14,15).
What are the key properties of 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one?
6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one has a molecular weight of 303.77 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1-hydroxy-2-methylsulfonylpropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 104521145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).