5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one

C12H15NO4S — CID 116855261

IUPAC5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC(C)(CO)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H15NO4S/c1-12(2,7-14)18(16,17)9-3-4-10-8(5-9)6-11(15)13-10/h3-5,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyPBTPJWHEQMRUFP-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.73
Rot. Bonds3

About 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one

5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 116855261) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID116855261
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESCC(C)(CO)S(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C12H15NO4S/c1-12(2,7-14)18(16,17)9-3-4-10-8(5-9)6-11(15)13-10/h3-5,14H,6-7H2,1-2H3,(H,13,15)
InChIKeyPBTPJWHEQMRUFP-UHFFFAOYSA-N
XLogP0.73
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 79386959
2-oxo-1,3-dihydroindole-5-sulfonyl chloride
CID 4962506
2-oxo-1,3-dihydroindole-5-sulfonyl fluoride
CID 82284625
2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)propan-1-ol
CID 116855244
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 39419252
5-[(3-hydroxy-2,2-dimethylpropyl)amino]-1,3-dihydroindol-2-one
CID 115135114
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110291596
N-(1-acetylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110715026
N-methoxy-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 60664960
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]oxyacetamide
CID 112673502
N-cyclopropyl-2-oxo-N-propan-2-yl-1,3-dihydroindole-5-sulfonamide
CID 110872901
3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 81086190

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one (CID 116855261) is 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one is CC(C)(CO)S(=O)(=O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is PBTPJWHEQMRUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-12(2,7-14)18(16,17)9-3-4-10-8(5-9)6-11(15)13-10/h3-5,14H,6-7H2,1-2H3,(H,13,15).
What are the key properties of 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 269.32 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 116855261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).