1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole

C20H22N2O3S — CID 24775196

IUPAC1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
SMILESCOc1cc(CN2CCCC2)c2ccn(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H22N2O3S/c1-25-17-13-16(15-21-10-5-6-11-21)19-9-12-22(20(19)14-17)26(23,24)18-7-3-2-4-8-18/h2-4,7-9,12-14H,5-6,10-11,15H2,1H3
InChIKeyNSEDEDZWGZLOFH-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.48
Rot. Bonds5

About 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole

1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole (PubChem CID 24775196) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
PubChem CID24775196
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
SMILESCOc1cc(CN2CCCC2)c2ccn(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C20H22N2O3S/c1-25-17-13-16(15-21-10-5-6-11-21)19-9-12-22(20(19)14-17)26(23,24)18-7-3-2-4-8-18/h2-4,7-9,12-14H,5-6,10-11,15H2,1H3
InChIKeyNSEDEDZWGZLOFH-UHFFFAOYSA-N
XLogP3.48
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-(pyrrolidin-1-ylmethyl)indol-6-ol;[1-(benzenesulfonyl)-4-(pyrrolidin-1-ylmethyl)indol-6-yl] N,N-dimethylcarbamate;2,2,2-trifluoroacetic acid
CID 68878500
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10023874
1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
CID 142181785
4-(azetidin-1-ylmethyl)-1-(benzenesulfonyl)-7-methoxyindole;2,2,2-trifluoroacetic acid
CID 68712147
1-(4-methoxyphenyl)sulfonyl-3-(piperazin-1-ylmethyl)indole
CID 66852331
1-(benzenesulfonyl)-6-fluoro-4-[(1-methylazepan-4-yl)methyl]indole
CID 143603060
methyl 1-[[1-(benzenesulfonyl)indol-4-yl]methyl]azetidine-2-carboxylate
CID 174572774
4-(pyrrolidin-1-ylmethyl)-1-thiophen-2-ylsulfonylindole
CID 24774937
1-(benzenesulfonyl)-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10317027
1-(3-fluorophenyl)sulfonyl-4-[(4-methylpiperazin-1-yl)methyl]indole
CID 24965682
1-pyridin-3-ylsulfonyl-4-(pyrrolidin-1-ylmethyl)indole;bis(2,2,2-trifluoroacetic acid)
CID 87547031
1-(benzenesulfonyl)-5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]indole;5-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-1H-indole
CID 162059237

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole?
The IUPAC name of 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole (CID 24775196) is 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole.
What is the SMILES notation for 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole?
The canonical SMILES for 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole is COc1cc(CN2CCCC2)c2ccn(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole?
The InChIKey is NSEDEDZWGZLOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-25-17-13-16(15-21-10-5-6-11-21)19-9-12-22(20(19)14-17)26(23,24)18-7-3-2-4-8-18/h2-4,7-9,12-14H,5-6,10-11,15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole?
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole has a molecular weight of 370.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole is sourced from PubChem (CID 24775196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).