2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine

C23H24N2O3S — CID 10319296

IUPAC2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O3S/c1-24(2)14-13-18-16-25(22-12-11-19(28-3)15-21(18)22)29(26,27)23-10-6-8-17-7-4-5-9-20(17)23/h4-12,15-16H,13-14H2,1-3H3
InChIKeySLMHRTVOIZHRHT-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.14
Rot. Bonds6

About 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine

2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine (PubChem CID 10319296) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine
PubChem CID10319296
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine
SMILESCOc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C23H24N2O3S/c1-24(2)14-13-18-16-25(22-12-11-19(28-3)15-21(18)22)29(26,27)23-10-6-8-17-7-4-5-9-20(17)23/h4-12,15-16H,13-14H2,1-3H3
InChIKeySLMHRTVOIZHRHT-UHFFFAOYSA-N
XLogP4.14
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine (CID 10319296) is 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine is COc1ccc2c(c1)c(CCN(C)C)cn2S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is SLMHRTVOIZHRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-24(2)14-13-18-16-25(22-12-11-19(28-3)15-21(18)22)29(26,27)23-10-6-8-17-7-4-5-9-20(17)23/h4-12,15-16H,13-14H2,1-3H3.
What are the key properties of 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine?
2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 408.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-naphthalen-1-ylsulfonylindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 10319296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).