2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine

C15H17ClN2O2S — CID 2820486

IUPAC2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(12-13-3-2-8-17-11-13)9-10-21(19,20)15-6-4-14(16)5-7-15/h2-8,11H,9-10,12H2,1H3
InChIKeyRDSSTGAPSSAUGL-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.64
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine

2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 2820486) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID2820486
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
SMILESCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(12-13-3-2-8-17-11-13)9-10-21(19,20)15-6-4-14(16)5-7-15/h2-8,11H,9-10,12H2,1H3
InChIKeyRDSSTGAPSSAUGL-UHFFFAOYSA-N
XLogP2.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine (CID 2820486) is 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine is CN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1cccnc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is RDSSTGAPSSAUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(12-13-3-2-8-17-11-13)9-10-21(19,20)15-6-4-14(16)5-7-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine?
2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 324.83 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 2820486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).