4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride

C8H8ClF2NO4S — CID 118824318

IUPAC4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
SMILESCOc1nc(S(=O)(=O)Cl)cc(C(F)F)c1OC
InChIInChI=1S/C8H8ClF2NO4S/c1-15-6-4(7(10)11)3-5(17(9,13)14)12-8(6)16-2/h3,7H,1-2H3
InChIKeyYIDAUNHWUGALNR-UHFFFAOYSA-N
MW287.67 g/mol
LogP1.96
Rot. Bonds4

About 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride

4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride (PubChem CID 118824318) has the molecular formula C8H8ClF2NO4S and a molecular weight of 287.67 g/mol. Its IUPAC name is 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
PubChem CID118824318
Molecular FormulaC8H8ClF2NO4S
Molecular Weight287.67 g/mol
Exact Mass286.98
IUPAC Name4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride
SMILESCOc1nc(S(=O)(=O)Cl)cc(C(F)F)c1OC
InChIInChI=1S/C8H8ClF2NO4S/c1-15-6-4(7(10)11)3-5(17(9,13)14)12-8(6)16-2/h3,7H,1-2H3
InChIKeyYIDAUNHWUGALNR-UHFFFAOYSA-N
XLogP1.96
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonyl chloride
CID 130068995
4-amino-5-(difluoromethyl)-6-methoxypyridine-2-sulfonyl chloride
CID 118806455
6-bromo-4-(difluoromethyl)-3-methoxypyridine-2-sulfonyl chloride
CID 130068997
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
6-bromo-4-(difluoromethyl)-5-methoxypyridine-2-sulfonamide
CID 130069038
4-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-sulfonamide
CID 118801223
6-amino-4-(difluoromethyl)-5-fluoropyridine-2-sulfonyl chloride
CID 130104394
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-sulfonyl chloride
CID 118854766
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 131315423
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-sulfonyl chloride
CID 130074018
2-chloro-5-(difluoromethyl)-4-methoxypyridine-3-sulfonyl chloride
CID 130073994

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride (CID 118824318) is 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride is COc1nc(S(=O)(=O)Cl)cc(C(F)F)c1OC.
What is the InChIKey of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride?
The InChIKey is YIDAUNHWUGALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO4S/c1-15-6-4(7(10)11)3-5(17(9,13)14)12-8(6)16-2/h3,7H,1-2H3.
What are the key properties of 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride?
4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride has a molecular weight of 287.67 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5,6-dimethoxypyridine-2-sulfonyl chloride is sourced from PubChem (CID 118824318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).