Dapsone Impurity 19

CAT: 1299-RM-D011619-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D011619-03Size:50 mg

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CAS Number

27147-69-9

Synonyms

2- ((4-aminophenyl) sulfonyl) aniline

Molecular Formula

C12H12N2O2S

Molecular Weight

248.3

Target Alternative Name

Dapsone

Product Name Synonym

2- ((4-aminophenyl) sulfonyl) aniline

Chemical Information

2-(4-Aminophenyl)sulfonylaniline

CAS Number	27147-69-9
PubChem CID	458049
IUPAC Name	2-(4-aminophenyl)sulfonylaniline
Molecular Formula	C12H12N2O2S
Molecular Weight	248.30
XLogP	1.6
Topological Polar Surface Area	94.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	342

SMILES

C1=CC=C(C(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H12N2O2S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8H,13-14H2

InChIKey

BYVOGVXITRNMSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 27147-69-9

CID: 458049

Formula: C12H12N2O2S

MW: 248.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.30
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	248.06194880
Monoisotopic Mass	248.06194880
Topological Polar Surface Area	94.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	342
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