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

C21H26N2O3S — CID 110316149

IUPAC4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)17-4-7-20(8-5-17)27(24,25)23-10-9-18-3-6-19(15-21(18)23)22-11-13-26-14-12-22/h3-8,15-16H,9-14H2,1-2H3
InChIKeyWSVFIFQGFIIBRB-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.40
Rot. Bonds4

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

4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine (PubChem CID 110316149) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
PubChem CID110316149
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1
InChIInChI=1S/C21H26N2O3S/c1-16(2)17-4-7-20(8-5-17)27(24,25)23-10-9-18-3-6-19(15-21(18)23)22-11-13-26-14-12-22/h3-8,15-16H,9-14H2,1-2H3
InChIKeyWSVFIFQGFIIBRB-UHFFFAOYSA-N
XLogP3.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.40
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-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-2,3-dihydroindol-6-yl]morpholine
CID 110316148
4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine
CID 110316150
4-methyl-7-[[6-(4-methylpiperazin-1-yl)-2,3-dihydroindol-1-yl]sulfonyl]-2,3-dihydro-1,4-benzoxazine
CID 71082007
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
4-[1-[2-(2-methoxyethoxy)ethylsulfonyl]-2,3-dihydroindol-6-yl]morpholine
CID 110634521
4-[[1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-2,3-dihydroindol-5-yl]sulfonyl]morpholine
CID 41249274
4-[1-(3-nitrophenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316294
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
CID 148988411

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The IUPAC name of 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine (CID 110316149) is 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine.
What is the SMILES notation for 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The canonical SMILES for 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine is CC(C)c1ccc(S(=O)(=O)N2CCc3ccc(N4CCOCC4)cc32)cc1.
What is the InChIKey of 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
The InChIKey is WSVFIFQGFIIBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16(2)17-4-7-20(8-5-17)27(24,25)23-10-9-18-3-6-19(15-21(18)23)22-11-13-26-14-12-22/h3-8,15-16H,9-14H2,1-2H3.
What are the key properties of 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine?
4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine has a molecular weight of 386.52 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-propan-2-ylphenyl)sulfonyl-2,3-dihydroindol-6-yl]morpholine is sourced from PubChem (CID 110316149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).