Sulfasalazine Impurity 13

CAT: 1299-RM-S061913-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S061913-01Size:10 mg

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CAS Number

873397-76-3

Synonyms

N, N'- (pyridine-2,6-diyl) bis (4-aminobenzenesulfonamide)

Molecular Formula

C17H17N5O4S2

Molecular Weight

419.47

Target Alternative Name

Sulfasalazine

Product Name Synonym

N, N'- (pyridine-2,6-diyl) bis (4-aminobenzenesulfonamide)

Chemical Information

N,N'-(pyridine-2,6-diyl)bis(4-aminobenzenesulfonamide)

CAS Number	873397-76-3
PubChem CID	73891254
IUPAC Name	4-amino-N-[6-[(4-aminophenyl)sulfonylamino]-2-pyridinyl]benzenesulfonamide
Molecular Formula	C17H17N5O4S2
Molecular Weight	419.5
XLogP	1.2
Topological Polar Surface Area	174
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Heavy Atom Count	28
Formal Charge	0
Complexity	643

SMILES

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

InChI

InChI=1S/C17H17N5O4S2/c18-12-4-8-14(9-5-12)27(23,24)21-16-2-1-3-17(20-16)22-28(25,26)15-10-6-13(19)7-11-15/h1-11H,18-19H2,(H2,20,21,22)

InChIKey

CONDIJNWUCFFRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 873397-76-3

CID: 73891254

Formula: C17H17N5O4S2

MW: 419.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	419.5
XLogP3	1.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	6
Exact Mass	419.07219639
Monoisotopic Mass	419.07219639
Topological Polar Surface Area	174 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	643
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