1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole

C21H24N2O4S — CID 10272325

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
SMILESCOc1ccc(S(=O)(=O)n2cc(C3CCN(C)C3)c3ccccc32)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-22-11-10-15(13-22)18-14-23(19-7-5-4-6-17(18)19)28(24,25)16-8-9-20(26-2)21(12-16)27-3/h4-9,12,14-15H,10-11,13H2,1-3H3
InChIKeyZKBASIGNGVQFQO-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.31
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole

1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole (PubChem CID 10272325) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
PubChem CID10272325
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
SMILESCOc1ccc(S(=O)(=O)n2cc(C3CCN(C)C3)c3ccccc32)cc1OC
InChIInChI=1S/C21H24N2O4S/c1-22-11-10-15(13-22)18-14-23(19-7-5-4-6-17(18)19)28(24,25)16-8-9-20(26-2)21(12-16)27-3/h4-9,12,14-15H,10-11,13H2,1-3H3
InChIKeyZKBASIGNGVQFQO-UHFFFAOYSA-N
XLogP3.31
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-5-methoxy-3-(1-methylpyrrolidin-3-yl)indole
CID 56673520
1-(2-iodophenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole
CID 10298602
2-[(E)-[cyclopropyl-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]methylidene]amino]guanidine
CID 22394667
2-[(Z)-1-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethylideneamino]guanidine
CID 10001896
1-(4-benzylphenyl)sulfonyl-3-(1-benzylpyrrolidin-3-yl)indole
CID 141064066
3,4-dimethoxy-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887427
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
tert-butyl N-[2-[1-(3,4-dimethoxyphenyl)sulfonylindol-3-yl]ethyl]carbamate
CID 23655114
(3S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 79031397
1-(3,4-dimethoxyphenyl)sulfonyl-3-methoxypyrrolidine
CID 108781072
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole-3-carbonitrile
CID 118181405

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole (CID 10272325) is 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole is COc1ccc(S(=O)(=O)n2cc(C3CCN(C)C3)c3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
The InChIKey is ZKBASIGNGVQFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-22-11-10-15(13-22)18-14-23(19-7-5-4-6-17(18)19)28(24,25)16-8-9-20(26-2)21(12-16)27-3/h4-9,12,14-15H,10-11,13H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole?
1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole has a molecular weight of 400.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-3-(1-methylpyrrolidin-3-yl)indole is sourced from PubChem (CID 10272325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).