2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone

C21H24N2O4S — CID 9093988

IUPAC2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)C[C@H](C)O1
InChIInChI=1S/C21H24N2O4S/c1-15-13-22(14-16(2)27-15)28(25,26)19-8-5-7-18(12-19)21(24)23-11-10-17-6-3-4-9-20(17)23/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t15-,16+
InChIKeyWSWDAAULXMBYME-IYBDPMFKSA-N
MW400.50 g/mol
LogP2.69
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone

2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone (PubChem CID 9093988) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
PubChem CID9093988
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)C[C@H](C)O1
InChIInChI=1S/C21H24N2O4S/c1-15-13-22(14-16(2)27-15)28(25,26)19-8-5-7-18(12-19)21(24)23-11-10-17-6-3-4-9-20(17)23/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t15-,16+
InChIKeyWSWDAAULXMBYME-IYBDPMFKSA-N
XLogP2.69
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone with MolForge

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Related Compounds

[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 43001978
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(2-phenylmorpholin-4-yl)methanone
CID 43057359
[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-(3-methylpiperazin-1-yl)methanone
CID 119579187
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
1-[4-[4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 97289180
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 2326568
(4-methylphenyl) 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8764714
2,3-dihydroindol-1-yl-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109061546

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone (CID 9093988) is 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone is C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCc4ccccc43)c2)C[C@H](C)O1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone?
The InChIKey is WSWDAAULXMBYME-IYBDPMFKSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-15-13-22(14-16(2)27-15)28(25,26)19-8-5-7-18(12-19)21(24)23-11-10-17-6-3-4-9-20(17)23/h3-9,12,15-16H,10-11,13-14H2,1-2H3/t15-,16+.
What are the key properties of 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone?
2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone has a molecular weight of 400.50 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanone is sourced from PubChem (CID 9093988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).