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Sulfamoyldapsone

CAT: 0926-SAA61573-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-SAA61573-03Size:100 mg
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CAS Number
17615-73-5
MDL Number
MFCD00142136
Smiles
C1=CC=C (C (=C1) CBr) N2C=NC=N2.Br
Molecular Formula
C12H13N3O4S2
Molecular Weight
327.4 g/mol
Controlled
No

Chemical Information

5-Amino-2-((4-aminophenyl)sulfonyl)benzenesulfonamide

Sulfamoyldapsone is a member of benzenes and a sulfonamide.

CAS Number17615-73-5
PubChem CID87190
IUPAC Name5-amino-2-(4-aminophenyl)sulfonylbenzenesulfonamide
Molecular FormulaC12H13N3O4S2
Molecular Weight327.4
XLogP-0.9
Topological Polar Surface Area163
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity556
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=C(C=C(C=C2)N)S(=O)(=O)N
InChI
InChI=1S/C12H13N3O4S2/c13-8-1-4-10(5-2-8)20(16,17)11-6-3-9(14)7-12(11)21(15,18)19/h1-7H,13-14H2,(H2,15,18,19)
InChIKey
JDZPLYBLBIKFHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Amino-2-((4-aminophenyl)sulfonyl)benzenesulfonamide
CAS: 17615-73-5
CID: 87190
Formula: C12H13N3O4S2
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass327.03474825
Monoisotopic Mass327.03474825
Topological Polar Surface Area163 Ų
Heavy Atom Count21
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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