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Sulfisoxazole Acetyl

CAT: 0572-TRC-S689225-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-S689225-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80-74-0
Hazard Statement
No Data Available
Smiles
CC(=O)N(c1onc(C)c1C)S(=O)(=O)c2ccc(N)cc2
Molecular Formula
C13 H15 N3 O4 S
Molecular Weight
309.34
InChI
InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3
Additionnal Information
IUPAC name: N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
Shipping Conditions
Room Temperature

Chemical Information

Sulfisoxazole Acetyl

Sulfisoxazole acetyl is a member of benzenes and a sulfonamide.

CAS Number80-74-0
PubChem CID6662
IUPAC NameN-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
Molecular FormulaC13H15N3O4S
Molecular Weight309.34
XLogP1.3
Topological Polar Surface Area115
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity482
SMILES
CC1=C(ON=C1C)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3
InChIKey
JFNWFXVFBDDWCX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfisoxazole Acetyl
CAS: 80-74-0
CID: 6662
Formula: C13H15N3O4S
MW: 309.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.34
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass309.07832714
Monoisotopic Mass309.07832714
Topological Polar Surface Area115 Ų
Heavy Atom Count21
Formal Charge0
Complexity482
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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