2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine

C20H23BrN2O4S — CID 68692673

IUPAC2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(OCCN(C)C)c(C)n2S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C20H23BrN2O4S/c1-14-20(27-12-11-22(2)3)16-13-15(26-4)9-10-18(16)23(14)28(24,25)19-8-6-5-7-17(19)21/h5-10,13H,11-12H2,1-4H3
InChIKeyHJJSJECTJIPTGZ-UHFFFAOYSA-N
MW467.39 g/mol
LogP3.90
Rot. Bonds7

About 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine

2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 68692673) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID68692673
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(OCCN(C)C)c(C)n2S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C20H23BrN2O4S/c1-14-20(27-12-11-22(2)3)16-13-15(26-4)9-10-18(16)23(14)28(24,25)19-8-6-5-7-17(19)21/h5-10,13H,11-12H2,1-4H3
InChIKeyHJJSJECTJIPTGZ-UHFFFAOYSA-N
XLogP3.90
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-bromo-5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690738
9-(2-bromophenyl)sulfonyl-6-methoxy-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 71455149
2-[5-bromo-1-(2-bromo-4-methoxyphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 10482178
1-(2-bromophenyl)sulfonyl-6-chloro-3-ethoxy-2-methylindole
CID 173211926
2-[1-(2-bromophenyl)sulfonyl-5,7-dichloro-2-phenylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690574
2-[1-(2-bromo-4-methoxyphenyl)sulfonyl-6-chloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 68693045
2-[5,7-dibromo-1-(2-bromophenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 10483353
2-[1-(3-chlorophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]sulfanyl-N,N-dimethylethanamine
CID 69408285
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544462
2-[7-bromo-1-(4-bromophenyl)sulfonyl-5-chloro-2-methylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68691246
2-[5,7-dibromo-2-methyl-1-(4-propan-2-ylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
CID 68690752
6-[2-(dimethylamino)ethoxy]-2-methoxy-10-methylacridin-9-one
CID 21323242

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine (CID 68692673) is 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine is COc1ccc2c(c1)c(OCCN(C)C)c(C)n2S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is HJJSJECTJIPTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-14-20(27-12-11-22(2)3)16-13-15(26-4)9-10-18(16)23(14)28(24,25)19-8-6-5-7-17(19)21/h5-10,13H,11-12H2,1-4H3.
What are the key properties of 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine?
2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 467.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)sulfonyl-5-methoxy-2-methylindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 68692673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).