2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine

C23H23ClN2O2S — CID 160688645

IUPAC2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(CS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
InChIInChI=1S/C23H23ClN2O2S/c1-26(2)11-10-18-14-25-23-9-6-16(12-21(18)23)15-29(27,28)19-7-8-20-17(13-19)4-3-5-22(20)24/h3-9,12-14,25H,10-11,15H2,1-2H3
InChIKeyAZXJQXDXDBGKHM-UHFFFAOYSA-N
MW426.97 g/mol
LogP5.05
Rot. Bonds6

About 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine

2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine (PubChem CID 160688645) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
PubChem CID160688645
Molecular FormulaC23H23ClN2O2S
Molecular Weight426.97 g/mol
Exact Mass426.12
IUPAC Name2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine
SMILESCN(C)CCc1c[nH]c2ccc(CS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12
InChIInChI=1S/C23H23ClN2O2S/c1-26(2)11-10-18-14-25-23-9-6-16(12-21(18)23)15-29(27,28)19-7-8-20-17(13-19)4-3-5-22(20)24/h3-9,12-14,25H,10-11,15H2,1-2H3
InChIKeyAZXJQXDXDBGKHM-UHFFFAOYSA-N
XLogP5.05
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.97
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]naphthalene-1-sulfonamide
CID 10224430
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;bis(2-hydroxybenzoic acid)
CID 67157590
4-[4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylsulfonyl-methylamino]oxy-4-oxobutanoyl]oxy-4-oxobutanoic acid
CID 87259431
decanoate;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 21188875
1-benzhydryl-4-methylpiperazine;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 118950113
2-[5-[[3-[2-(dimethylamino)ethyl]-5-(pyrrolidin-1-ylsulfonylmethyl)indol-1-yl]methyl]-1H-indol-3-yl]-N,N-dimethylethanamine
CID 162623876
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]sulfamoyl]quinolin-8-amine
CID 69262416
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine
CID 67085783
[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 19023004

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine (CID 160688645) is 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine is CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12.
What is the InChIKey of 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
The InChIKey is AZXJQXDXDBGKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c1-26(2)11-10-18-14-25-23-9-6-16(12-21(18)23)15-29(27,28)19-7-8-20-17(13-19)4-3-5-22(20)24/h3-9,12-14,25H,10-11,15H2,1-2H3.
What are the key properties of 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine?
2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine has a molecular weight of 426.97 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-chloronaphthalen-2-yl)sulfonylmethyl]-1H-indol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 160688645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).