Iguratimod Impurity 24

CAT: 1299-RM-I071850-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-I071850-01Size:10 mg

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

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CAS Number

150831-14-4

Synonyms

N- (4-glycyl-5-hydroxy-2-phenoxyphenyl) methanesulfonamide

Molecular Formula

C15H16N2O5S

Molecular Weight

336.36

Target Alternative Name

Iguratimod

Product Name Synonym

N- (4-glycyl-5-hydroxy-2-phenoxyphenyl) methanesulfonamide

Chemical Information

Iguratimod Impurity 24

CAS Number	150831-14-4
PubChem CID	133080768
IUPAC Name	N-[4-(2-aminoacetyl)-5-hydroxy-2-phenoxyphenyl]methanesulfonamide
Molecular Formula	C15H16N2O5S
Molecular Weight	336.4
XLogP	1.4
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	23
Formal Charge	0
Complexity	498

SMILES

CS(=O)(=O)NC1=C(C=C(C(=C1)O)C(=O)CN)OC2=CC=CC=C2

InChI

InChI=1S/C15H16N2O5S/c1-23(20,21)17-12-8-13(18)11(14(19)9-16)7-15(12)22-10-5-3-2-4-6-10/h2-8,17-18H,9,16H2,1H3

InChIKey

MFFYKQKTQWZYPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 150831-14-4

CID: 133080768

Formula: C15H16N2O5S

MW: 336.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.4
XLogP3	1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	336.07799279
Monoisotopic Mass	336.07799279
Topological Polar Surface Area	127 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	498
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