4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine

C20H24N2O3S — CID 110316144

IUPAC4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1C
InChIInChI=1S/C20H24N2O3S/c1-15-3-6-19(13-16(15)2)26(23,24)22-8-7-17-4-5-18(14-20(17)22)21-9-11-25-12-10-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJQBKTSKIGBVSFE-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.89
Rot. Bonds3

About 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine

4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine (PubChem CID 110316144) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
PubChem CID110316144
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1C
InChIInChI=1S/C20H24N2O3S/c1-15-3-6-19(13-16(15)2)26(23,24)22-8-7-17-4-5-18(14-20(17)22)21-9-11-25-12-10-21/h3-6,13-14H,7-12H2,1-2H3
InChIKeyJQBKTSKIGBVSFE-UHFFFAOYSA-N
XLogP2.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
CID 110316148
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316149
4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316150
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
4-methyl-7-[[6-(4-methylpiperazin-1-yl)-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 71082007
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316294
4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
CID 110634521
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315931
1-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 1261021
1-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 133451865
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The IUPAC name of 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine (CID 110316144) is 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The canonical SMILES for 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine is Cc1ccc(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1C.
What is the InChIKey of 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The InChIKey is JQBKTSKIGBVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-3-6-19(13-16(15)2)26(23,24)22-8-7-17-4-5-18(14-20(17)22)21-9-11-25-12-10-21/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine has a molecular weight of 372.49 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine is sourced from PubChem (CID 110316144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).