5-chloro-2-ethoxypyridine-3-sulfonyl chloride

C7H7Cl2NO3S — CID 126662502

IUPAC5-chloro-2-ethoxypyridine-3-sulfonyl chloride
SMILESCCOc1ncc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H7Cl2NO3S/c1-2-13-7-6(14(9,11)12)3-5(8)4-10-7/h3-4H,2H2,1H3
InChIKeyKVUIHNGWJKVPJO-UHFFFAOYSA-N
MW256.11 g/mol
LogP2.06
Rot. Bonds3

About 5-chloro-2-ethoxypyridine-3-sulfonyl chloride

5-chloro-2-ethoxypyridine-3-sulfonyl chloride (PubChem CID 126662502) has the molecular formula C7H7Cl2NO3S and a molecular weight of 256.11 g/mol. Its IUPAC name is 5-chloro-2-ethoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-ethoxypyridine-3-sulfonyl chloride
PubChem CID126662502
Molecular FormulaC7H7Cl2NO3S
Molecular Weight256.11 g/mol
Exact Mass254.95
IUPAC Name5-chloro-2-ethoxypyridine-3-sulfonyl chloride
SMILESCCOc1ncc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H7Cl2NO3S/c1-2-13-7-6(14(9,11)12)3-5(8)4-10-7/h3-4H,2H2,1H3
InChIKeyKVUIHNGWJKVPJO-UHFFFAOYSA-N
XLogP2.06
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxypyridine-3-sulfonyl chloride?
The IUPAC name of 5-chloro-2-ethoxypyridine-3-sulfonyl chloride (CID 126662502) is 5-chloro-2-ethoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-chloro-2-ethoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 5-chloro-2-ethoxypyridine-3-sulfonyl chloride is CCOc1ncc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-ethoxypyridine-3-sulfonyl chloride?
The InChIKey is KVUIHNGWJKVPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO3S/c1-2-13-7-6(14(9,11)12)3-5(8)4-10-7/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-2-ethoxypyridine-3-sulfonyl chloride?
5-chloro-2-ethoxypyridine-3-sulfonyl chloride has a molecular weight of 256.11 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 126662502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).