4'-(N-Hydroxysulfanilyl)acetanilide - CAS 32604-86-7

Catalog:	BB063967
Product Name:	4'-(N-Hydroxysulfanilyl)acetanilide
CAS:	32604-86-7
Synonyms:	N-[4-[[4-(Hydroxyamino)phenyl]sulfonyl]phenyl]acetamide

Technical Data

IUPAC Name:	N-[4-[4-(hydroxyamino)phenyl]sulfonylphenyl]acetamide
Description:	4'-(N-Hydroxysulfanilyl)acetanilide is an intermediate in the synthesis of Aceyl Dapsone (A168435), a metabolite of Dapsone (D193250), an antibacterial used in the treatment of dermatitis herpetiformis.
Molecular Weight:	306.34
Molecular Formula:	C14H14N2O4S
Canonical SMILES:	CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NO
InChI:	InChI=1S/C14H14N2O4S/c1-10(17)15-11-2-6-13(7-3-11)21(19,20)14-8-4-12(16-18)5-9-14/h2-9,16,18H,1H3,(H,15,17)
InChI Key:	YUWDJHZQRAHBBW-UHFFFAOYSA-N
Melting Point:	186-188°C (dec.)
Solubility:	Acetonitrile, DMSO
Appearance:	Pale Orange Solid
Storage:	Refrigerator
References:	Shin, I., et al. J. App. Pharmacol., 10, 193 (2002); Bhaiya, P., et al. Toxicol. App. Pharmacol., 215, 158 (2006); Paixao, P., et al. Eur. J. Pharm. Sci., 36, 544 (2009); Francis, J., et al. Br. J. Pharmacol., 5, 565 (1950); Uetrecht, J., et al. Clin. Dermatol., 7, 111 (1989); Reszka, K., et al. Chem. Res. Toxicol., 22, 1137 (2009); Santos, J., et al. Bioorg. Med. Chem., 17, 3795 (2009); Varma, M., et al. J. Med. Chem., 52, 4844 (2009).

Complexity:	444
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	306.06742811
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	306.06742811
Rotatable Bond Count:	4
Topological Polar Surface Area:	104Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7