2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine

C20H24N2O4S — CID 12017575

IUPAC2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cccc(OC)c32)cc1
InChIInChI=1S/C20H24N2O4S/c1-21(2)13-12-15-14-22(20-18(15)6-5-7-19(20)26-4)27(23,24)17-10-8-16(25-3)9-11-17/h5-11,14H,12-13H2,1-4H3
InChIKeyXKCRAVMKYHCIDA-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.00
Rot. Bonds7

About 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine

2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine (PubChem CID 12017575) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
PubChem CID12017575
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
SMILESCOc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cccc(OC)c32)cc1
InChIInChI=1S/C20H24N2O4S/c1-21(2)13-12-15-14-22(20-18(15)6-5-7-19(20)26-4)27(23,24)17-10-8-16(25-3)9-11-17/h5-11,14H,12-13H2,1-4H3
InChIKeyXKCRAVMKYHCIDA-UHFFFAOYSA-N
XLogP3.00
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine (CID 12017575) is 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine is COc1ccc(S(=O)(=O)n2cc(CCN(C)C)c3cccc(OC)c32)cc1.
What is the InChIKey of 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
The InChIKey is XKCRAVMKYHCIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-21(2)13-12-15-14-22(20-18(15)6-5-7-19(20)26-4)27(23,24)17-10-8-16(25-3)9-11-17/h5-11,14H,12-13H2,1-4H3.
What are the key properties of 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine?
2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine has a molecular weight of 388.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 12017575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).