1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane

C24H33NO3S — CID 143603116

IUPAC1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane
SMILESCC.CC1CCC1.CCc1c(OC)ccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO3S.C5H10.C2H6/c1-3-14-15-11-12-18(16(15)9-10-17(14)21-2)22(19,20)13-7-5-4-6-8-13;1-5-3-2-4-5;1-2/h4-12H,3H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyVMXKCZHGJGVJKV-UHFFFAOYSA-N
MW415.60 g/mol
LogP6.28
Rot. Bonds4

About 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane

1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane (PubChem CID 143603116) has the molecular formula C24H33NO3S and a molecular weight of 415.60 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane
PubChem CID143603116
Molecular FormulaC24H33NO3S
Molecular Weight415.60 g/mol
Exact Mass415.22
IUPAC Name1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane
SMILESCC.CC1CCC1.CCc1c(OC)ccc2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H17NO3S.C5H10.C2H6/c1-3-14-15-11-12-18(16(15)9-10-17(14)21-2)22(19,20)13-7-5-4-6-8-13;1-5-3-2-4-5;1-2/h4-12H,3H2,1-2H3;5H,2-4H2,1H3;1-2H3
InChIKeyVMXKCZHGJGVJKV-UHFFFAOYSA-N
XLogP6.28
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.60
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
CID 59513523
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)-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-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
1-[1-(benzenesulfonyl)-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine;2,2,2-trifluoroacetic acid
CID 68717072
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
CID 24775196
8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
CID 25057340
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
methyl 1-[[1-(benzenesulfonyl)indol-4-yl]methyl]azetidine-2-carboxylate
CID 174572774

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane?
The IUPAC name of 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane (CID 143603116) is 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane.
What is the SMILES notation for 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane?
The canonical SMILES for 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane is CC.CC1CCC1.CCc1c(OC)ccc2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane?
The InChIKey is VMXKCZHGJGVJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S.C5H10.C2H6/c1-3-14-15-11-12-18(16(15)9-10-17(14)21-2)22(19,20)13-7-5-4-6-8-13;1-5-3-2-4-5;1-2/h4-12H,3H2,1-2H3;5H,2-4H2,1H3;1-2H3.
What are the key properties of 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane?
1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane has a molecular weight of 415.60 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane is sourced from PubChem (CID 143603116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).