1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine

C17H18N2O3S — CID 59513523

IUPAC1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
SMILESCNCc1c(OC)ccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-18-12-15-14-10-11-19(16(14)8-9-17(15)22-2)23(20,21)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyMHXVSAKJAZJUTL-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.61
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine

1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine (PubChem CID 59513523) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
PubChem CID59513523
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
SMILESCNCc1c(OC)ccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O3S/c1-18-12-15-14-10-11-19(16(14)8-9-17(15)22-2)23(20,21)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
InChIKeyMHXVSAKJAZJUTL-UHFFFAOYSA-N
XLogP2.61
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane
CID 143603116
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde
CID 86618256
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde;1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N,N-dimethylmethanamine;hydrochloride
CID 157350242
1-(benzenesulfonyl)-6-fluoro-4-(methylaminomethyl)indol-5-ol
CID 59513586
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde;4-[[1-(benzenesulfonyl)-5-methoxyindol-4-yl]methyl]piperazine-1-carboxylic acid
CID 87611974
1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
CID 142181785
1-[1-(benzenesulfonyl)-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
CID 68717072
[1-(benzenesulfonyl)indol-4-yl]oxyboronic acid
CID 142772203
2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine
CID 122373084
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine (CID 59513523) is 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine is CNCc1c(OC)ccc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine?
The InChIKey is MHXVSAKJAZJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-18-12-15-14-10-11-19(16(14)8-9-17(15)22-2)23(20,21)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3.
What are the key properties of 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine?
1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine has a molecular weight of 330.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 59513523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).