5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one

C13H16N2O4S — CID 62916095

IUPAC5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCC(O)C3)ccc21
InChIInChI=1S/C13H16N2O4S/c1-14-12-3-2-11(6-9(12)7-13(14)17)20(18,19)15-5-4-10(16)8-15/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyKXMVBHOSKLNFGI-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.04
Rot. Bonds2

About 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one

5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one (PubChem CID 62916095) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
PubChem CID62916095
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCC(O)C3)ccc21
InChIInChI=1S/C13H16N2O4S/c1-14-12-3-2-11(6-9(12)7-13(14)17)20(18,19)15-5-4-10(16)8-15/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyKXMVBHOSKLNFGI-UHFFFAOYSA-N
XLogP-0.04
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 65448429
1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
CID 110721628
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 110818534
(2S)-1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 110867530
5-[4-(4-ethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
CID 113075964
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one (CID 62916095) is 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(S(=O)(=O)N3CCC(O)C3)ccc21.
What is the InChIKey of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one?
The InChIKey is KXMVBHOSKLNFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-14-12-3-2-11(6-9(12)7-13(14)17)20(18,19)15-5-4-10(16)8-15/h2-3,6,10,16H,4-5,7-8H2,1H3.
What are the key properties of 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one?
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one has a molecular weight of 296.35 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 62916095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).