5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole

C23H28N2O3S — CID 56683496

IUPAC5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCOc1ccc2c(c1)c(C1CCN(C)C1)cn2S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O3S/c1-16(2)17-5-8-20(9-6-17)29(26,27)25-15-22(18-11-12-24(3)14-18)21-13-19(28-4)7-10-23(21)25/h5-10,13,15-16,18H,11-12,14H2,1-4H3
InChIKeyDZEPEZKWVZRFSQ-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.43
Rot. Bonds5

About 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole

5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole (PubChem CID 56683496) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
PubChem CID56683496
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
SMILESCOc1ccc2c(c1)c(C1CCN(C)C1)cn2S(=O)(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H28N2O3S/c1-16(2)17-5-8-20(9-6-17)29(26,27)25-15-22(18-11-12-24(3)14-18)21-13-19(28-4)7-10-23(21)25/h5-10,13,15-16,18H,11-12,14H2,1-4H3
InChIKeyDZEPEZKWVZRFSQ-UHFFFAOYSA-N
XLogP4.43
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Masupirdine
CID 10073773
Indeglitazar
CID 11395145
5-Methoxy-3-(2-(1-pyrrolidinyl)ethyl)-1H-indole
CID 17053
N-Methyl-5-benzyloxyindole
CID 259196
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
MS-245
CID 6918542
1-(2-Bromophenyl)sulfonyl-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 11190845
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56663077
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
CID 56666540
1-(Benzenesulfonyl)-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56666541
1-(2-Bromophenyl)sulfonyl-5-ethoxy-3-(1-methylpyrrolidin-3-yl)indole
CID 56670011

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The IUPAC name of 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole (CID 56683496) is 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole.
What is the SMILES notation for 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The canonical SMILES for 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole is COc1ccc2c(c1)c(C1CCN(C)C1)cn2S(=O)(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
The InChIKey is DZEPEZKWVZRFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-16(2)17-5-8-20(9-6-17)29(26,27)25-15-22(18-11-12-24(3)14-18)21-13-19(28-4)7-10-23(21)25/h5-10,13,15-16,18H,11-12,14H2,1-4H3.
What are the key properties of 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole?
5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole has a molecular weight of 412.56 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole is sourced from PubChem (CID 56683496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).