Sulfasalazine Impurity 14

CAT: 1299-RM-S061914-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S061914-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

42753-55-9

Synonyms

2-hydroxy-5- ((4- (N- (6-methylpyridin-2-yl) sulfamoyl) phenyl) diazenyl) benzoic acid

Molecular Formula

C19H16N4O5S

Molecular Weight

412.42

Target Alternative Name

Sulfasalazine

Product Name Synonym

2-hydroxy-5- ((4- (N- (6-methylpyridin-2-yl) sulfamoyl) phenyl) diazenyl) benzoic acid

Chemical Information

6-Methyl Sulfasalazine

CAS Number	42753-55-9
PubChem CID	136234040
IUPAC Name	2-hydroxy-5-[[4-[(6-methyl-2-pyridinyl)sulfamoyl]phenyl]diazenyl]benzoic acid
Molecular Formula	C19H16N4O5S
Molecular Weight	412.4
XLogP	-0.3
Topological Polar Surface Area	150
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	687

SMILES

CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C19H16N4O5S/c1-12-3-2-4-18(20-12)23-29(27,28)15-8-5-13(6-9-15)21-22-14-7-10-17(24)16(11-14)19(25)26/h2-11,24H,1H3,(H,20,23)(H,25,26)

InChIKey

BOUXQAITXDAJSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42753-55-9

CID: 136234040

Formula: C19H16N4O5S

MW: 412.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	412.4
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	412.08414080
Monoisotopic Mass	412.08414080
Topological Polar Surface Area	150 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	687
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes