6-cyclopropyloxynaphthalene-2-sulfonyl chloride

C13H11ClO3S — CID 135175255

IUPAC6-cyclopropyloxynaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2cc(OC3CC3)ccc2c1
InChIInChI=1S/C13H11ClO3S/c14-18(15,16)13-6-2-9-7-12(17-11-4-5-11)3-1-10(9)8-13/h1-3,6-8,11H,4-5H2
InChIKeyKYVXXQNURYBZNV-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.31
Rot. Bonds3

About 6-cyclopropyloxynaphthalene-2-sulfonyl chloride

6-cyclopropyloxynaphthalene-2-sulfonyl chloride (PubChem CID 135175255) has the molecular formula C13H11ClO3S and a molecular weight of 282.75 g/mol. Its IUPAC name is 6-cyclopropyloxynaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name6-cyclopropyloxynaphthalene-2-sulfonyl chloride
PubChem CID135175255
Molecular FormulaC13H11ClO3S
Molecular Weight282.75 g/mol
Exact Mass282.01
IUPAC Name6-cyclopropyloxynaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2cc(OC3CC3)ccc2c1
InChIInChI=1S/C13H11ClO3S/c14-18(15,16)13-6-2-9-7-12(17-11-4-5-11)3-1-10(9)8-13/h1-3,6-8,11H,4-5H2
InChIKeyKYVXXQNURYBZNV-UHFFFAOYSA-N
XLogP3.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-cyclopropyloxynaphthalene-2-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

Related Compounds

2-Methoxy-6-methylsulfonylnaphthalene
CID 15434622
Naphthalen-2-yl 4-ethoxybenzenesulfonate
CID 5017326
5-[4-(Trifluoromethyl)phenoxy]naphthalene-2-sulfonamide
CID 155213833
4-Ethoxynaphthalene-1-sulfonic acid
CID 18724528
6-methoxynaphthalene-2-sulfonyl Chloride
CID 10634862
5-Methoxynaphthalene-1-sulfonyl chloride
CID 12922634
4-Ethoxynaphthalene-1-sulfonyl chloride
CID 16772030
4-Methoxynaphthalene-1-sulfonyl chloride
CID 16775501
2-Methoxynaphthalene-1-sulfonyl chloride
CID 71331422
2-(Naphthalen-2-yloxy)ethane-1-sulfonyl fluoride
CID 118561813
Dons
CID 193668
6-Methoxynaphthalene-2-sulfonamide
CID 47000979

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxynaphthalene-2-sulfonyl chloride?
The IUPAC name of 6-cyclopropyloxynaphthalene-2-sulfonyl chloride (CID 135175255) is 6-cyclopropyloxynaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 6-cyclopropyloxynaphthalene-2-sulfonyl chloride?
The canonical SMILES for 6-cyclopropyloxynaphthalene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc2cc(OC3CC3)ccc2c1.
What is the InChIKey of 6-cyclopropyloxynaphthalene-2-sulfonyl chloride?
The InChIKey is KYVXXQNURYBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClO3S/c14-18(15,16)13-6-2-9-7-12(17-11-4-5-11)3-1-10(9)8-13/h1-3,6-8,11H,4-5H2.
What are the key properties of 6-cyclopropyloxynaphthalene-2-sulfonyl chloride?
6-cyclopropyloxynaphthalene-2-sulfonyl chloride has a molecular weight of 282.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyloxynaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 135175255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).