4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine

C18H19N3O3S — CID 101434864

IUPAC4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)n2nc(N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-6-8-15(9-7-14)25(22,23)21-17-5-3-2-4-16(17)18(19-21)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3
InChIKeyJUUCODFMACUQCE-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.42
Rot. Bonds3

About 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine

4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine (PubChem CID 101434864) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
PubChem CID101434864
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine
SMILESCc1ccc(S(=O)(=O)n2nc(N3CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-6-8-15(9-7-14)25(22,23)21-17-5-3-2-4-16(17)18(19-21)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3
InChIKeyJUUCODFMACUQCE-UHFFFAOYSA-N
XLogP2.42
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
The IUPAC name of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine (CID 101434864) is 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine.
What is the SMILES notation for 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
The canonical SMILES for 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine is Cc1ccc(S(=O)(=O)n2nc(N3CCOCC3)c3ccccc32)cc1.
What is the InChIKey of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
The InChIKey is JUUCODFMACUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-6-8-15(9-7-14)25(22,23)21-17-5-3-2-4-16(17)18(19-21)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3.
What are the key properties of 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine?
4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine has a molecular weight of 357.44 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylphenyl)sulfonylindazol-3-yl]morpholine is sourced from PubChem (CID 101434864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).