5-chloronaphthalene-2-sulfonyl chloride

C10H6Cl2O2S — CID 2735777

IUPAC5-chloronaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C10H6Cl2O2S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H
InChIKeyMICVPVPQQNFKGU-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.42
Rot. Bonds1

About 5-chloronaphthalene-2-sulfonyl chloride

5-chloronaphthalene-2-sulfonyl chloride (PubChem CID 2735777) has the molecular formula C10H6Cl2O2S and a molecular weight of 261.13 g/mol. Its IUPAC name is 5-chloronaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloronaphthalene-2-sulfonyl chloride
PubChem CID2735777
Molecular FormulaC10H6Cl2O2S
Molecular Weight261.13 g/mol
Exact Mass259.95
IUPAC Name5-chloronaphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C10H6Cl2O2S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H
InChIKeyMICVPVPQQNFKGU-UHFFFAOYSA-N
XLogP3.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloronaphthalene-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

Frequently Asked Questions

What is the IUPAC name of 5-chloronaphthalene-2-sulfonyl chloride?
The IUPAC name of 5-chloronaphthalene-2-sulfonyl chloride (CID 2735777) is 5-chloronaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 5-chloronaphthalene-2-sulfonyl chloride?
The canonical SMILES for 5-chloronaphthalene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of 5-chloronaphthalene-2-sulfonyl chloride?
The InChIKey is MICVPVPQQNFKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O2S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H.
What are the key properties of 5-chloronaphthalene-2-sulfonyl chloride?
5-chloronaphthalene-2-sulfonyl chloride has a molecular weight of 261.13 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloronaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 2735777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).