2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine

C13H14ClNO2S — CID 58817611

IUPAC2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C13H14ClNO2S/c1-15-8-9-18(16,17)13-7-3-4-10-11(13)5-2-6-12(10)14/h2-7,15H,8-9H2,1H3
InChIKeySNWKHPQHXZSWPS-UHFFFAOYSA-N
MW283.78 g/mol
LogP2.49
Rot. Bonds4

About 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine

2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine (PubChem CID 58817611) has the molecular formula C13H14ClNO2S and a molecular weight of 283.78 g/mol. Its IUPAC name is 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine
PubChem CID58817611
Molecular FormulaC13H14ClNO2S
Molecular Weight283.78 g/mol
Exact Mass283.04
IUPAC Name2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine
SMILESCNCCS(=O)(=O)c1cccc2c(Cl)cccc12
InChIInChI=1S/C13H14ClNO2S/c1-15-8-9-18(16,17)13-7-3-4-10-11(13)5-2-6-12(10)14/h2-7,15H,8-9H2,1H3
InChIKeySNWKHPQHXZSWPS-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine?
The IUPAC name of 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine (CID 58817611) is 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine.
What is the SMILES notation for 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine?
The canonical SMILES for 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine is CNCCS(=O)(=O)c1cccc2c(Cl)cccc12.
What is the InChIKey of 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine?
The InChIKey is SNWKHPQHXZSWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2S/c1-15-8-9-18(16,17)13-7-3-4-10-11(13)5-2-6-12(10)14/h2-7,15H,8-9H2,1H3.
What are the key properties of 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine?
2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine has a molecular weight of 283.78 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloronaphthalen-1-yl)sulfonyl-N-methylethanamine is sourced from PubChem (CID 58817611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).