BI01383298 5mg

CAT: 0628-A18831-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A18831-5Size:5 mg

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

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CAS Number

2227549-00-8

Chemical Information

1-((3,5-Dichlorophenyl)sulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide

CAS Number	2227549-00-8
PubChem CID	134604213
IUPAC Name	1-(3,5-dichlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
Molecular Formula	C19H19Cl2FN2O3S
Molecular Weight	445.3
XLogP	3.7
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	620

SMILES

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

InChI

InChI=1S/C19H19Cl2FN2O3S/c20-15-9-16(21)11-18(10-15)28(26,27)24-7-5-14(6-8-24)19(25)23-12-13-1-3-17(22)4-2-13/h1-4,9-11,14H,5-8,12H2,(H,23,25)

InChIKey

VUOYAALVGSMUHC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2227549-00-8

CID: 134604213

Formula: C19H19Cl2FN2O3S

MW: 445.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	445.3
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	444.0477472
Monoisotopic Mass	444.0477472
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	620
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
564050	BI01383298
TBI4191-25MG	BI01383298, Citrate transporter inhibitor