1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine

C19H22N2O3S — CID 142181785

IUPAC1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
SMILESC1CCNC1.COc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S.C4H9N/c1-19-15-9-5-8-14-13(15)10-11-16(14)20(17,18)12-6-3-2-4-7-12;1-2-4-5-3-1/h2-11H,1H3;5H,1-4H2
InChIKeyCMNZGKNBUJUOLQ-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.26
Rot. Bonds3

About 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine

1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine (PubChem CID 142181785) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
PubChem CID142181785
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
SMILESC1CCNC1.COc1cccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13NO3S.C4H9N/c1-19-15-9-5-8-14-13(15)10-11-16(14)20(17,18)12-6-3-2-4-7-12;1-2-4-5-3-1/h2-11H,1H3;5H,1-4H2
InChIKeyCMNZGKNBUJUOLQ-UHFFFAOYSA-N
XLogP3.26
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde
CID 86618256
[1-(benzenesulfonyl)indol-4-yl]oxyboronic acid
CID 142772203
1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
CID 59513523
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
4-fluoro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonylindole
CID 118181436
1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane
CID 143603116
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
CID 24775196
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510
[1-(benzenesulfonyl)indol-4-yl]methanamine;hydrochloride
CID 68718223
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
tert-butyl 2-[1-(benzenesulfonyl)indol-4-yl]oxyacetate
CID 142413165

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine?
The IUPAC name of 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine (CID 142181785) is 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine?
The canonical SMILES for 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine is C1CCNC1.COc1cccc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine?
The InChIKey is CMNZGKNBUJUOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S.C4H9N/c1-19-15-9-5-8-14-13(15)10-11-16(14)20(17,18)12-6-3-2-4-7-12;1-2-4-5-3-1/h2-11H,1H3;5H,1-4H2.
What are the key properties of 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine?
1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine has a molecular weight of 358.46 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine is sourced from PubChem (CID 142181785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).