Nav1.7 inhibitor 5mg

CAT: 0628-A21141-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A21141-5Size:5 mg

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

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CAS Number

1355631-24-1

Chemical Information

Nav1.7 inhibitor

CAS Number	1355631-24-1
PubChem CID	56589663
IUPAC Name	5-chloro-4-[(3,4-dichlorophenoxy)methyl]-2-fluoro-N-methylsulfonylbenzamide
Molecular Formula	C15H11Cl3FNO4S
Molecular Weight	426.7
XLogP	4.2
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	574

SMILES

CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)Cl)COC2=CC(=C(C=C2)Cl)Cl)F

InChI

InChI=1S/C15H11Cl3FNO4S/c1-25(22,23)20-15(21)10-6-12(17)8(4-14(10)19)7-24-9-2-3-11(16)13(18)5-9/h2-6H,7H2,1H3,(H,20,21)

InChIKey

VHPXWPAGHGHDCK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1355631-24-1

CID: 56589663

Formula: C15H11Cl3FNO4S

MW: 426.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	426.7
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	424.945840
Monoisotopic Mass	424.945840
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	574
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