1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine

C19H20Cl2N2O3S — CID 59513598

IUPAC1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine
SMILESCCOc1ccc2c(ccn2S(=O)(=O)c2cc(Cl)ccc2Cl)c1CN(C)C
InChIInChI=1S/C19H20Cl2N2O3S/c1-4-26-18-8-7-17-14(15(18)12-22(2)3)9-10-23(17)27(24,25)19-11-13(20)5-6-16(19)21/h5-11H,4,12H2,1-3H3
InChIKeyWBXMEJNOFPJSGC-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.65
Rot. Bonds6

About 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine

1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine (PubChem CID 59513598) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine
PubChem CID59513598
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine
SMILESCCOc1ccc2c(ccn2S(=O)(=O)c2cc(Cl)ccc2Cl)c1CN(C)C
InChIInChI=1S/C19H20Cl2N2O3S/c1-4-26-18-8-7-17-14(15(18)12-22(2)3)9-10-23(17)27(24,25)19-11-13(20)5-6-16(19)21/h5-11H,4,12H2,1-3H3
InChIKeyWBXMEJNOFPJSGC-UHFFFAOYSA-N
XLogP4.65
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine (CID 59513598) is 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine is CCOc1ccc2c(ccn2S(=O)(=O)c2cc(Cl)ccc2Cl)c1CN(C)C.
What is the InChIKey of 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is WBXMEJNOFPJSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-4-26-18-8-7-17-14(15(18)12-22(2)3)9-10-23(17)27(24,25)19-11-13(20)5-6-16(19)21/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine?
1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 427.35 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dichlorophenyl)sulfonyl-5-ethoxyindol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 59513598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).