7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride

C11H7Cl2NO3S — CID 150573792

IUPAC7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride
SMILESCS(=O)(=O)c1cc(Cl)c(C(=O)Cl)c2ncccc12
InChIInChI=1S/C11H7Cl2NO3S/c1-18(16,17)8-5-7(12)9(11(13)15)10-6(8)3-2-4-14-10/h2-5H,1H3
InChIKeyIMJRBSKWZKBENZ-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.67
Rot. Bonds2

About 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride

7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride (PubChem CID 150573792) has the molecular formula C11H7Cl2NO3S and a molecular weight of 304.15 g/mol. Its IUPAC name is 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride.

Molecular Properties

Compound Name7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride
PubChem CID150573792
Molecular FormulaC11H7Cl2NO3S
Molecular Weight304.15 g/mol
Exact Mass302.95
IUPAC Name7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride
SMILESCS(=O)(=O)c1cc(Cl)c(C(=O)Cl)c2ncccc12
InChIInChI=1S/C11H7Cl2NO3S/c1-18(16,17)8-5-7(12)9(11(13)15)10-6(8)3-2-4-14-10/h2-5H,1H3
InChIKeyIMJRBSKWZKBENZ-UHFFFAOYSA-N
XLogP2.67
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride?
The IUPAC name of 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride (CID 150573792) is 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride.
What is the SMILES notation for 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride?
The canonical SMILES for 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride is CS(=O)(=O)c1cc(Cl)c(C(=O)Cl)c2ncccc12.
What is the InChIKey of 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride?
The InChIKey is IMJRBSKWZKBENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3S/c1-18(16,17)8-5-7(12)9(11(13)15)10-6(8)3-2-4-14-10/h2-5H,1H3.
What are the key properties of 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride?
7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride has a molecular weight of 304.15 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methylsulfonylquinoline-8-carbonyl chloride is sourced from PubChem (CID 150573792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).