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

C21H26N2O3S — CID 110316150

IUPAC4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-12-16(2)21(17(3)13-15)27(24,25)23-7-6-18-4-5-19(14-20(18)23)22-8-10-26-11-9-22/h4-5,12-14H,6-11H2,1-3H3
InChIKeyHAZINGVNWNMPBQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.20
Rot. Bonds3

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

4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine (PubChem CID 110316150) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
PubChem CID110316150
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)c(C)c1
InChIInChI=1S/C21H26N2O3S/c1-15-12-16(2)21(17(3)13-15)27(24,25)23-7-6-18-4-5-19(14-20(18)23)22-8-10-26-11-9-22/h4-5,12-14H,6-11H2,1-3H3
InChIKeyHAZINGVNWNMPBQ-UHFFFAOYSA-N
XLogP3.20
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,4-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316144
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316149
4-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
CID 110316148
4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
CID 110634521
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315931
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
4-methyl-7-[[6-(4-methylpiperazin-1-yl)-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 71082007
4-[6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 26843191
N-(2-methoxy-5-morpholin-4-ylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 110359825
6-ethyl-1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindole
CID 70866228
[1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]methanamine
CID 70850537

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The IUPAC name of 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine (CID 110316150) is 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The canonical SMILES for 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine is Cc1cc(C)c(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)c(C)c1.
What is the InChIKey of 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The InChIKey is HAZINGVNWNMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15-12-16(2)21(17(3)13-15)27(24,25)23-7-6-18-4-5-19(14-20(18)23)22-8-10-26-11-9-22/h4-5,12-14H,6-11H2,1-3H3.
What are the key properties of 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine has a molecular weight of 386.52 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine is sourced from PubChem (CID 110316150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).