1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole

C20H24N2O3S — CID 110315931

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C20H24N2O3S/c1-15-5-8-19(25-2)20(13-15)26(23,24)22-12-9-16-6-7-17(14-18(16)22)21-10-3-4-11-21/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyMIYPOQJDTDNFGV-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.36
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole

1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole (PubChem CID 110315931) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
PubChem CID110315931
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C20H24N2O3S/c1-15-5-8-19(25-2)20(13-15)26(23,24)22-12-9-16-6-7-17(14-18(16)22)21-10-3-4-11-21/h5-8,13-14H,3-4,9-12H2,1-2H3
InChIKeyMIYPOQJDTDNFGV-UHFFFAOYSA-N
XLogP3.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-5-methylphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 110287385
2-methoxy-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)-5-methylbenzenesulfonamide
CID 110362064
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
4-methoxy-1-(2-methoxy-5-methylphenyl)sulfonyl-2,3-dihydroindole-6-carboxamide
CID 141166293
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
1-(2-methoxy-5-methylphenyl)sulfonyl-1,4-diazepane-2,5-dione
CID 151664784
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
1-(2,5-dimethoxyphenyl)sulfonyl-6-nitro-2,3-dihydroindole
CID 3852643
1-(2-methoxy-5-methylphenyl)sulfonyl-4-phenylpiperazine
CID 775526
1-methylsulfonyl-7-pyrrolidin-1-yl-3,4-dihydro-2H-quinoline
CID 110359639
1-(2-methoxy-5-methylphenyl)sulfonyl-4-methylpiperazine
CID 746471

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole (CID 110315931) is 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole is COc1ccc(C)cc1S(=O)(=O)N1CCc2ccc(N3CCCC3)cc21.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole?
The InChIKey is MIYPOQJDTDNFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-5-8-19(25-2)20(13-15)26(23,24)22-12-9-16-6-7-17(14-18(16)22)21-10-3-4-11-21/h5-8,13-14H,3-4,9-12H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole?
1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole has a molecular weight of 372.49 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 110315931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).