JNJ-7706621

CAT: 0862-GW4079-10mgSize: 10 mgDry Ice: NoHazardous: No

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CAT#:0862-GW4079-10mgSize:10 mg

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

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CAS Number

443797-96-4

Storage Conditions

+4°C

Hazardous Class

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Chemical Information

Jnj-7706621

4-[[5-amino-1-[(2,6-difluorophenyl)-oxomethyl]-1,2,4-triazol-3-yl]amino]benzenesulfonamide is a sulfonamide.

CAS Number	443797-96-4
PubChem CID	5330790
IUPAC Name	4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide
Molecular Formula	C15H12F2N6O3S
Molecular Weight	394.4
XLogP	2.4
Topological Polar Surface Area	154
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	630

SMILES

C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F

InChI

InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)

InChIKey

KDKUVYLMPJIGKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 443797-96-4

CID: 5330790

Formula: C15H12F2N6O3S

MW: 394.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	394.4
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	394.06596576
Monoisotopic Mass	394.06596576
Topological Polar Surface Area	154 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	630
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

Catalog	Name
015244	JNJ-7706621
MBS132140-01	JNJ 7706621