5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

C18H19N3O4S — CID 44825297

IUPAC5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCN(c4ccc(O)cc4)CC3)ccc2N1
InChIInChI=1S/C18H19N3O4S/c22-15-3-1-14(2-4-15)20-7-9-21(10-8-20)26(24,25)16-5-6-17-13(11-16)12-18(23)19-17/h1-6,11,22H,7-10,12H2,(H,19,23)
InChIKeyYCOCADXVPASJAM-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.40
Rot. Bonds3

About 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (PubChem CID 44825297) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
PubChem CID44825297
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCN(c4ccc(O)cc4)CC3)ccc2N1
InChIInChI=1S/C18H19N3O4S/c22-15-3-1-14(2-4-15)20-7-9-21(10-8-20)26(24,25)16-5-6-17-13(11-16)12-18(23)19-17/h1-6,11,22H,7-10,12H2,(H,19,23)
InChIKeyYCOCADXVPASJAM-UHFFFAOYSA-N
XLogP1.40
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (CID 44825297) is 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCN(c4ccc(O)cc4)CC3)ccc2N1.
What is the InChIKey of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is YCOCADXVPASJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c22-15-3-1-14(2-4-15)20-7-9-21(10-8-20)26(24,25)16-5-6-17-13(11-16)12-18(23)19-17/h1-6,11,22H,7-10,12H2,(H,19,23).
What are the key properties of 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 373.43 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 44825297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).