4-Methoxy-3-pyridinesulfonyl Chloride - CAS 945257-53-4

Catalog:	BB060030
Product Name:	4-Methoxy-3-pyridinesulfonyl Chloride
CAS:	945257-53-4
Synonyms:	4-methoxypyridine-3-sulfonyl chloride; 4-Methoxy-3-pyridinesulfonyl Chloride; 4-METHOXY-PYRIDINE-3-SULFONYL CHLORIDE; 4-methoxypyridine-3-sulfonylchloride

Technical Data

IUPAC Name:	4-methoxypyridine-3-sulfonyl chloride
Description:	4-methoxy-3-pyridinesulfonyl chloride is a reactant used to prepare (arylpiperazinyl)cyclohexylsulfonamides as potential α1-adrenergic receptor antagonists.
Molecular Weight:	207.63
Molecular Formula:	C6H6ClNO3S
Canonical SMILES:	COC1=C(C=NC=C1)S(=O)(=O)Cl
InChI:	InChI=1S/C6H6ClNO3S/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3
InChI Key:	HZXCJVXFYRJJJR-UHFFFAOYSA-N
References:	Chiu, G., et al. Bioorg. Med. Chem. Lett., 17, 3292 (2007).

Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.9756919
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.9756919
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8