2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine

C19H21ClN2O3S — CID 68691484

IUPAC2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCc1ccc(S(=O)(=O)n2cc(OCCN(C)C)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-4-7-16(8-5-14)26(23,24)22-13-19(25-11-10-21(2)3)17-9-6-15(20)12-18(17)22/h4-9,12-13H,10-11H2,1-3H3
InChIKeyOUAFBFRNTXLXOY-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.78
Rot. Bonds6

About 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine

2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine (PubChem CID 68691484) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
PubChem CID68691484
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine
SMILESCc1ccc(S(=O)(=O)n2cc(OCCN(C)C)c3ccc(Cl)cc32)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-14-4-7-16(8-5-14)26(23,24)22-13-19(25-11-10-21(2)3)17-9-6-15(20)12-18(17)22/h4-9,12-13H,10-11H2,1-3H3
InChIKeyOUAFBFRNTXLXOY-UHFFFAOYSA-N
XLogP3.78
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
N-[5-(6-chloroindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 67341609
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173772
6-chloro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-1H-indole
CID 118181460
N-[5-(6-chloro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457265
N-[2-[1-(benzenesulfonyl)indol-4-yl]oxyethyl]-N'-[(4-chlorophenyl)methyl]ethane-1,2-diamine
CID 164619537
{2-[1-(4-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9800707
{2-[1-(2-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9821904
{2-[1-(3-Chloro-benzenesulfonyl)-5-methoxy-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 9908552
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N,N-dimethylethanamine
CID 9967991
1-(Benzenesulfonyl)-4-(2-piperidin-1-ylethoxy)indole
CID 10178089
4-[2-[1-(Benzenesulfonyl)indol-4-yl]oxyethyl]morpholine
CID 10178221

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine (CID 68691484) is 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine is Cc1ccc(S(=O)(=O)n2cc(OCCN(C)C)c3ccc(Cl)cc32)cc1.
What is the InChIKey of 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
The InChIKey is OUAFBFRNTXLXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-14-4-7-16(8-5-14)26(23,24)22-13-19(25-11-10-21(2)3)17-9-6-15(20)12-18(17)22/h4-9,12-13H,10-11H2,1-3H3.
What are the key properties of 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine?
2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine has a molecular weight of 392.91 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(4-methylphenyl)sulfonylindol-3-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 68691484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).