5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

C17H17N3O3S — CID 110871612

IUPAC5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCCC3c3cccnc3)ccc2N1
InChIInChI=1S/C17H17N3O3S/c21-17-10-13-9-14(5-6-15(13)19-17)24(22,23)20-8-2-4-16(20)12-3-1-7-18-11-12/h1,3,5-7,9,11,16H,2,4,8,10H2,(H,19,21)
InChIKeyHCRFCNMIPVTFNC-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.10
Rot. Bonds3

About 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one

5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110871612) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
PubChem CID110871612
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCCC3c3cccnc3)ccc2N1
InChIInChI=1S/C17H17N3O3S/c21-17-10-13-9-14(5-6-15(13)19-17)24(22,23)20-8-2-4-16(20)12-3-1-7-18-11-12/h1,3,5-7,9,11,16H,2,4,8,10H2,(H,19,21)
InChIKeyHCRFCNMIPVTFNC-UHFFFAOYSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110873172
3-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 6925728
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
3-[1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525751
3-[1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525744
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
3-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 2805684
N-[4-(2-pyridin-3-ylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 659759
3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525742
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one (CID 110871612) is 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCCC3c3cccnc3)ccc2N1.
What is the InChIKey of 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is HCRFCNMIPVTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-17-10-13-9-14(5-6-15(13)19-17)24(22,23)20-8-2-4-16(20)12-3-1-7-18-11-12/h1,3,5-7,9,11,16H,2,4,8,10H2,(H,19,21).
What are the key properties of 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one?
5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 343.41 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110871612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).