SLC13A5-IN-1

CAT: 0607-BA6977-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6977-10Size:10 mg

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

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CAS Number

2227548-95-8

Form

A solid

Molecular Formula

C19H19Cl3N2O3S

Molecular Weight

461.79

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Slc13A5-IN-1

CAS Number	2227548-95-8
PubChem CID	134604225
IUPAC Name	N-[(4-chlorophenyl)methyl]-1-(3,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
Molecular Formula	C19H19Cl3N2O3S
Molecular Weight	461.8
XLogP	4.2
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	617

SMILES

C1CN(CCC1C(=O)NCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl3N2O3S/c20-15-3-1-13(2-4-15)12-23-19(25)14-5-7-24(8-6-14)28(26,27)18-10-16(21)9-17(22)11-18/h1-4,9-11,14H,5-8,12H2,(H,23,25)

InChIKey

NPEIWANTVUZMJV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2227548-95-8

CID: 134604225

Formula: C19H19Cl3N2O3S

MW: 461.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	461.8
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	460.018197
Monoisotopic Mass	460.018197
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	617
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