1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one

C21H25N3O3S — CID 22518778

IUPAC1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C21H25N3O3S/c1-21(2)18-15-17(9-10-19(18)22(3)20(21)25)28(26,27)24-13-11-23(12-14-24)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3
InChIKeyUDCVTCNGEYKOPE-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.45
Rot. Bonds3

About 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one

1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one (PubChem CID 22518778) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one
PubChem CID22518778
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one
SMILESCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C21H25N3O3S/c1-21(2)18-15-17(9-10-19(18)22(3)20(21)25)28(26,27)24-13-11-23(12-14-24)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3
InChIKeyUDCVTCNGEYKOPE-UHFFFAOYSA-N
XLogP2.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one?
The IUPAC name of 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one (CID 22518778) is 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one.
What is the SMILES notation for 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one?
The canonical SMILES for 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one is CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one?
The InChIKey is UDCVTCNGEYKOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-21(2)18-15-17(9-10-19(18)22(3)20(21)25)28(26,27)24-13-11-23(12-14-24)16-7-5-4-6-8-16/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one?
1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one has a molecular weight of 399.52 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-5-(4-phenylpiperazin-1-yl)sulfonylindol-2-one is sourced from PubChem (CID 22518778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).