5-chloro-4-methoxypyridine-3-sulfonyl chloride

C6H5Cl2NO3S — CID 130980038

IUPAC5-chloro-4-methoxypyridine-3-sulfonyl chloride
SMILESCOc1c(Cl)cncc1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO3S/c1-12-6-4(7)2-9-3-5(6)13(8,10)11/h2-3H,1H3
InChIKeyZZOBRKXJKIGEPJ-UHFFFAOYSA-N
MW242.08 g/mol
LogP1.67
Rot. Bonds2

About 5-chloro-4-methoxypyridine-3-sulfonyl chloride

5-chloro-4-methoxypyridine-3-sulfonyl chloride (PubChem CID 130980038) has the molecular formula C6H5Cl2NO3S and a molecular weight of 242.08 g/mol. Its IUPAC name is 5-chloro-4-methoxypyridine-3-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-methoxypyridine-3-sulfonyl chloride
PubChem CID130980038
Molecular FormulaC6H5Cl2NO3S
Molecular Weight242.08 g/mol
Exact Mass240.94
IUPAC Name5-chloro-4-methoxypyridine-3-sulfonyl chloride
SMILESCOc1c(Cl)cncc1S(=O)(=O)Cl
InChIInChI=1S/C6H5Cl2NO3S/c1-12-6-4(7)2-9-3-5(6)13(8,10)11/h2-3H,1H3
InChIKeyZZOBRKXJKIGEPJ-UHFFFAOYSA-N
XLogP1.67
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.08
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methoxypyridine-3-sulfonyl chloride?
The IUPAC name of 5-chloro-4-methoxypyridine-3-sulfonyl chloride (CID 130980038) is 5-chloro-4-methoxypyridine-3-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-methoxypyridine-3-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-methoxypyridine-3-sulfonyl chloride is COc1c(Cl)cncc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-4-methoxypyridine-3-sulfonyl chloride?
The InChIKey is ZZOBRKXJKIGEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2NO3S/c1-12-6-4(7)2-9-3-5(6)13(8,10)11/h2-3H,1H3.
What are the key properties of 5-chloro-4-methoxypyridine-3-sulfonyl chloride?
5-chloro-4-methoxypyridine-3-sulfonyl chloride has a molecular weight of 242.08 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methoxypyridine-3-sulfonyl chloride is sourced from PubChem (CID 130980038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).