3,4-dimethoxypyridine-2-sulfonyl chloride

C7H8ClNO4S — CID 141469217

IUPAC3,4-dimethoxypyridine-2-sulfonyl chloride
SMILESCOc1ccnc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C7H8ClNO4S/c1-12-5-3-4-9-7(6(5)13-2)14(8,10)11/h3-4H,1-2H3
InChIKeyJHMZBZXAHMWRAZ-UHFFFAOYSA-N
MW237.66 g/mol
LogP1.03
Rot. Bonds3

About 3,4-dimethoxypyridine-2-sulfonyl chloride

3,4-dimethoxypyridine-2-sulfonyl chloride (PubChem CID 141469217) has the molecular formula C7H8ClNO4S and a molecular weight of 237.66 g/mol. Its IUPAC name is 3,4-dimethoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name3,4-dimethoxypyridine-2-sulfonyl chloride
PubChem CID141469217
Molecular FormulaC7H8ClNO4S
Molecular Weight237.66 g/mol
Exact Mass236.99
IUPAC Name3,4-dimethoxypyridine-2-sulfonyl chloride
SMILESCOc1ccnc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C7H8ClNO4S/c1-12-5-3-4-9-7(6(5)13-2)14(8,10)11/h3-4H,1-2H3
InChIKeyJHMZBZXAHMWRAZ-UHFFFAOYSA-N
XLogP1.03
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methoxypyridine-2-sulfonyl chloride
CID 130785648
4-methoxyquinoline-6-sulfonamide
CID 170007480
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
1-(3-chloropropylsulfonyl)-5-methoxyisoquinoline
CID 106540316
6-fluoro-2,3-dimethoxybenzenesulfonyl chloride
CID 84708314
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
(4-methoxy-2-methyl-3-pyridinyl) acetate
CID 139337452
3,4,5-trimethoxybenzenesulfonyl chloride
CID 15196158
3-chloro-6-methoxypyridine-2-sulfonyl chloride
CID 55279487
3,4-dimethoxy-N-methylpyridine-2-carboxamide
CID 156506686
3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 130088894
2-fluoro-4-methoxypyridine-3-carbaldehyde
CID 45083842

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxypyridine-2-sulfonyl chloride?
The IUPAC name of 3,4-dimethoxypyridine-2-sulfonyl chloride (CID 141469217) is 3,4-dimethoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 3,4-dimethoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 3,4-dimethoxypyridine-2-sulfonyl chloride is COc1ccnc(S(=O)(=O)Cl)c1OC.
What is the InChIKey of 3,4-dimethoxypyridine-2-sulfonyl chloride?
The InChIKey is JHMZBZXAHMWRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4S/c1-12-5-3-4-9-7(6(5)13-2)14(8,10)11/h3-4H,1-2H3.
What are the key properties of 3,4-dimethoxypyridine-2-sulfonyl chloride?
3,4-dimethoxypyridine-2-sulfonyl chloride has a molecular weight of 237.66 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 141469217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).