2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine

C27H27N3O4S — CID 122373084

IUPAC2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine
SMILESCNCCc1c(-c2c(OC)cc(OC)c3c2ccn3S(=O)(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C27H27N3O4S/c1-28-15-13-20-19-11-7-8-12-22(19)29-26(20)25-21-14-16-30(27(21)24(34-3)17-23(25)33-2)35(31,32)18-9-5-4-6-10-18/h4-12,14,16-17,28-29H,13,15H2,1-3H3
InChIKeyBFDGAQCSLSSCCG-UHFFFAOYSA-N
MW489.60 g/mol
LogP4.81
Rot. Bonds8

About 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine

2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine (PubChem CID 122373084) has the molecular formula C27H27N3O4S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine
PubChem CID122373084
Molecular FormulaC27H27N3O4S
Molecular Weight489.60 g/mol
Exact Mass489.17
IUPAC Name2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine
SMILESCNCCc1c(-c2c(OC)cc(OC)c3c2ccn3S(=O)(=O)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C27H27N3O4S/c1-28-15-13-20-19-11-7-8-12-22(19)29-26(20)25-21-14-16-30(27(21)24(34-3)17-23(25)33-2)35(31,32)18-9-5-4-6-10-18/h4-12,14,16-17,28-29H,13,15H2,1-3H3
InChIKeyBFDGAQCSLSSCCG-UHFFFAOYSA-N
XLogP4.81
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
CID 59513523
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
2,4-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113085538
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 58615561
1-(benzenesulfonyl)-7-methoxyindole-3-sulfonic acid
CID 90935850
[2-[1-(benzenesulfonyl)pyrrol-3-yl]-1H-indol-3-yl]-(3,4,5-trimethoxyphenyl)methanol
CID 71546667
4-(azetidin-1-ylmethyl)-1-(benzenesulfonyl)-7-methoxyindole;2,2,2-trifluoroacetic acid
CID 68712147
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]-2-methyl-1H-indole
CID 113086654
2-[[2-(benzenesulfonyl)-1H-indol-4-yl]oxy]-N-methylethanamine;hydrochloride
CID 69367839
N-methyl-N'-[(2-methyl-1H-indol-3-yl)methyl]ethane-1,2-diamine
CID 115195851

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine (CID 122373084) is 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine is CNCCc1c(-c2c(OC)cc(OC)c3c2ccn3S(=O)(=O)c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine?
The InChIKey is BFDGAQCSLSSCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4S/c1-28-15-13-20-19-11-7-8-12-22(19)29-26(20)25-21-14-16-30(27(21)24(34-3)17-23(25)33-2)35(31,32)18-9-5-4-6-10-18/h4-12,14,16-17,28-29H,13,15H2,1-3H3.
What are the key properties of 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine?
2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine has a molecular weight of 489.60 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(benzenesulfonyl)-5,7-dimethoxyindol-4-yl]-1H-indol-3-yl]-N-methylethanamine is sourced from PubChem (CID 122373084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).