1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole

C20H24N2O3S — CID 110316058

IUPAC1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
SMILESCCOc1ccc(S(=O)(=O)N2CCc3cc(N4CCCC4)ccc32)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-25-18-6-8-19(9-7-18)26(23,24)22-14-11-16-15-17(5-10-20(16)22)21-12-3-4-13-21/h5-10,15H,2-4,11-14H2,1H3
InChIKeyNNRHGSDRBLDTEA-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole

1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole (PubChem CID 110316058) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
PubChem CID110316058
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
SMILESCCOc1ccc(S(=O)(=O)N2CCc3cc(N4CCCC4)ccc32)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-25-18-6-8-19(9-7-18)26(23,24)22-14-11-16-15-17(5-10-20(16)22)21-12-3-4-13-21/h5-10,15H,2-4,11-14H2,1H3
InChIKeyNNRHGSDRBLDTEA-UHFFFAOYSA-N
XLogP3.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-5-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 155552356
N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
CID 110634468
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
1-(4-chlorophenyl)sulfonyl-5-piperazin-1-yl-2,3-dihydroindole
CID 148988411
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
4-[1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]morpholine
CID 110316268
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
1-(5-ethylthiophen-2-yl)sulfonyl-6-pyrrolidin-1-yl-2,3-dihydroindole
CID 110315939
N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110316065
1-[4-[1-(4-bromophenyl)sulfonyl-2,3-dihydroindol-5-yl]piperazin-1-yl]-2,2,2-trichloroethanone
CID 151564793

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole (CID 110316058) is 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole is CCOc1ccc(S(=O)(=O)N2CCc3cc(N4CCCC4)ccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole?
The InChIKey is NNRHGSDRBLDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-25-18-6-8-19(9-7-18)26(23,24)22-14-11-16-15-17(5-10-20(16)22)21-12-3-4-13-21/h5-10,15H,2-4,11-14H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole?
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole has a molecular weight of 372.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 110316058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).