5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one

C12H15N3O3S — CID 4962779

IUPAC5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCNCC3)ccc2N1
InChIInChI=1S/C12H15N3O3S/c16-12-8-9-7-10(1-2-11(9)14-12)19(17,18)15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2,(H,14,16)
InChIKeySGGCOSCNYUWLKL-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.22
Rot. Bonds2

About 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one

5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one (PubChem CID 4962779) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one
PubChem CID4962779
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCNCC3)ccc2N1
InChIInChI=1S/C12H15N3O3S/c16-12-8-9-7-10(1-2-11(9)14-12)19(17,18)15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2,(H,14,16)
InChIKeySGGCOSCNYUWLKL-UHFFFAOYSA-N
XLogP-0.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one (CID 4962779) is 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCNCC3)ccc2N1.
What is the InChIKey of 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one?
The InChIKey is SGGCOSCNYUWLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-12-8-9-7-10(1-2-11(9)14-12)19(17,18)15-5-3-13-4-6-15/h1-2,7,13H,3-6,8H2,(H,14,16).
What are the key properties of 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one?
5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one has a molecular weight of 281.34 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-ylsulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 4962779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).