5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one

C16H17N3O3S — CID 110873172

IUPAC5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCCC3c3ccc[nH]3)ccc2N1
InChIInChI=1S/C16H17N3O3S/c20-16-10-11-9-12(5-6-13(11)18-16)23(21,22)19-8-2-4-15(19)14-3-1-7-17-14/h1,3,5-7,9,15,17H,2,4,8,10H2,(H,18,20)
InChIKeyUITFLUHOIFVPAG-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.04
Rot. Bonds3

About 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one

5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110873172) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
PubChem CID110873172
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCCC3c3ccc[nH]3)ccc2N1
InChIInChI=1S/C16H17N3O3S/c20-16-10-11-9-12(5-6-13(11)18-16)23(21,22)19-8-2-4-15(19)14-3-1-7-17-14/h1,3,5-7,9,15,17H,2,4,8,10H2,(H,18,20)
InChIKeyUITFLUHOIFVPAG-UHFFFAOYSA-N
XLogP2.04
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-pyridin-3-ylpyrrolidin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110871612
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
2-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 110873150
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110873181
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
2-fluoro-4-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 82845487
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-1,3-dihydroindol-2-one
CID 110867929
5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110805342
5-(2,4-dimethylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 110707877
2-[1-(2,4-dibromophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 61073788
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
2-(1-propan-2-ylsulfonylpyrrolidin-2-yl)-1H-pyrrole
CID 61357186

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one (CID 110873172) is 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCCC3c3ccc[nH]3)ccc2N1.
What is the InChIKey of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is UITFLUHOIFVPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16-10-11-9-12(5-6-13(11)18-16)23(21,22)19-8-2-4-15(19)14-3-1-7-17-14/h1,3,5-7,9,15,17H,2,4,8,10H2,(H,18,20).
What are the key properties of 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 331.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110873172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).