5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride

C15H19ClN2O2S — CID 118611040

IUPAC5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride
SMILESCN(C)CCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C15H19ClN2O2S/c1-17(2)10-11-18(3)14-8-4-7-13-12(14)6-5-9-15(13)21(16,19)20/h4-9H,10-11H2,1-3H3
InChIKeyWKOAMULQEAAIOB-UHFFFAOYSA-N
MW326.85 g/mol
LogP2.77
Rot. Bonds5

About 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride

5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride (PubChem CID 118611040) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride
PubChem CID118611040
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride
SMILESCN(C)CCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C15H19ClN2O2S/c1-17(2)10-11-18(3)14-8-4-7-13-12(14)6-5-9-15(13)21(16,19)20/h4-9H,10-11H2,1-3H3
InChIKeyWKOAMULQEAAIOB-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride?
The IUPAC name of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride (CID 118611040) is 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride is CN(C)CCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.
What is the InChIKey of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride?
The InChIKey is WKOAMULQEAAIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-17(2)10-11-18(3)14-8-4-7-13-12(14)6-5-9-15(13)21(16,19)20/h4-9H,10-11H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride?
5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride has a molecular weight of 326.85 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl-methylamino]naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 118611040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).