6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one

C23H24N2O4S — CID 66835125

IUPAC6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)c2oc4ccccc4c2C3=O)CC1
InChIInChI=1S/C23H24N2O4S/c1-23(2)18-14-15(30(27,28)25-12-10-24(3)11-13-25)8-9-16(18)21(26)20-17-6-4-5-7-19(17)29-22(20)23/h4-9,14H,10-13H2,1-3H3
InChIKeyXWWCHSORCHHAOD-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.24
Rot. Bonds2

About 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one

6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one (PubChem CID 66835125) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one.

Molecular Properties

Compound Name6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one
PubChem CID66835125
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one
SMILESCN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)c2oc4ccccc4c2C3=O)CC1
InChIInChI=1S/C23H24N2O4S/c1-23(2)18-14-15(30(27,28)25-12-10-24(3)11-13-25)8-9-16(18)21(26)20-17-6-4-5-7-19(17)29-22(20)23/h4-9,14H,10-13H2,1-3H3
InChIKeyXWWCHSORCHHAOD-UHFFFAOYSA-N
XLogP3.24
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl) trifluoromethanesulfonate
CID 86663832
8-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]-6,6-dimethylnaphtho[3,2-b][1]benzofuran-11-one
CID 66835005
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
8-methoxy-6,6-dimethyl-3-(trifluoromethyl)naphtho[3,2-b][1]benzofuran-11-one
CID 163857285
4-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethylamino]chromen-2-one
CID 30342674
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
(2S)-1,4-bis(dibenzofuran-2-ylsulfonyl)-2-methylpiperazine
CID 92853639
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 82843705
1-dibenzofuran-3-ylsulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68551823
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]-2-naphthalen-1-ylacetamide
CID 108736162

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one?
The IUPAC name of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one (CID 66835125) is 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one.
What is the SMILES notation for 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one?
The canonical SMILES for 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one is CN1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)c2oc4ccccc4c2C3=O)CC1.
What is the InChIKey of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one?
The InChIKey is XWWCHSORCHHAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-23(2)18-14-15(30(27,28)25-12-10-24(3)11-13-25)8-9-16(18)21(26)20-17-6-4-5-7-19(17)29-22(20)23/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one?
6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one has a molecular weight of 424.52 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-8-(4-methylpiperazin-1-yl)sulfonylnaphtho[3,2-b][1]benzofuran-11-one is sourced from PubChem (CID 66835125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).