3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine

C15H18ClNO2S — CID 90863249

IUPAC3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine
SMILESCCC(CCN)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C15H18ClNO2S/c1-2-14(7-8-17)20(18,19)15-6-4-11-9-13(16)5-3-12(11)10-15/h3-6,9-10,14H,2,7-8,17H2,1H3
InChIKeyZTZIPGNAVQIGLC-UHFFFAOYSA-N
MW311.83 g/mol
LogP3.39
Rot. Bonds5

About 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine

3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine (PubChem CID 90863249) has the molecular formula C15H18ClNO2S and a molecular weight of 311.83 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine
PubChem CID90863249
Molecular FormulaC15H18ClNO2S
Molecular Weight311.83 g/mol
Exact Mass311.07
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine
SMILESCCC(CCN)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C15H18ClNO2S/c1-2-14(7-8-17)20(18,19)15-6-4-11-9-13(16)5-3-12(11)10-15/h3-6,9-10,14H,2,7-8,17H2,1H3
InChIKeyZTZIPGNAVQIGLC-UHFFFAOYSA-N
XLogP3.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine (CID 90863249) is 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine is CCC(CCN)S(=O)(=O)c1ccc2cc(Cl)ccc2c1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine?
The InChIKey is ZTZIPGNAVQIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2S/c1-2-14(7-8-17)20(18,19)15-6-4-11-9-13(16)5-3-12(11)10-15/h3-6,9-10,14H,2,7-8,17H2,1H3.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine?
3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine has a molecular weight of 311.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonylpentan-1-amine is sourced from PubChem (CID 90863249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).