5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride

C13H12ClNO2S — CID 123694795

IUPAC5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride
SMILESC=CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C13H12ClNO2S/c1-3-15(2)12-8-4-7-11-10(12)6-5-9-13(11)18(14,16)17/h3-9H,1H2,2H3
InChIKeyQOMYOKWCEOPCMD-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.35
Rot. Bonds3

About 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride

5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride (PubChem CID 123694795) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride
PubChem CID123694795
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC Name5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride
SMILESC=CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C13H12ClNO2S/c1-3-15(2)12-8-4-7-11-10(12)6-5-9-13(11)18(14,16)17/h3-9H,1H2,2H3
InChIKeyQOMYOKWCEOPCMD-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride?
The IUPAC name of 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride (CID 123694795) is 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride is C=CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.
What is the InChIKey of 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride?
The InChIKey is QOMYOKWCEOPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c1-3-15(2)12-8-4-7-11-10(12)6-5-9-13(11)18(14,16)17/h3-9H,1H2,2H3.
What are the key properties of 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride?
5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride has a molecular weight of 281.76 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethenyl(methyl)amino]naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 123694795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).