2-(Dimethylcarbamoyl)-5-nitrobenzenesulfonyl Chloride - CAS 190520-66-2

Catalog:	BB068324
Product Name:	2-(Dimethylcarbamoyl)-5-nitrobenzenesulfonyl Chloride
CAS:	190520-66-2
Synonyms:	2-[(Dimethylamino)carbonyl]-5-nitrobenzenesulfonyl Chloride

Technical Data

IUPAC Name:	2-(dimethylcarbamoyl)-5-nitrobenzenesulfonyl chloride
Description:	2-(Dimethylcarbamoyl)-5-nitrobenzenesulfonyl Chloride is an intermediate in the synthesis of N,N-Dimethyl-2-aminosulfonyl-4-formamidobenzamide (D896870), a key intermediate in the preparation of the sulfonylurea herbicide Foramsulfuron (F685003).
Molecular Weight:	292.69
Molecular Formula:	C9H9ClN2O5S
Canonical SMILES:	CN(C)C(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl
InChI:	InChI=1S/C9H9ClN2O5S/c1-11(2)9(13)7-4-3-6(12(14)15)5-8(7)18(10,16)17/h3-5H,1-2H3
InChI Key:	HWHFKRBWXGKGGW-UHFFFAOYSA-N
References:	Liu, Q., et al. Xiandai Nongyao, 11, 19 (2012); Ford, M. J., et al. From PCT Int. Appl. (2001), WO 2001042226 A1 20010614.

Complexity:	439
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	291.9920703
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	291.9920703
Rotatable Bond Count:	2
Topological Polar Surface Area:	109Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2