VT103

CAT: 0127-BUP08601-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08601-01Size:5 mg

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CAS Number

2290608-13-6

Synonyms

VT 103, VT-103

Purity

=98%

Smiles

CNS(=O)(=O)c1ccc(Nc2ccc(cc2)C(F)(F)F)c(c1)-c1cn(C)cn1

Chemical Information

N-Methyl-3-(1-methyl-1H-imidazol-4-yl)-4-((4-(trifluoromethyl)phenyl)amino)benzenesulfonamide

CAS Number	2290608-13-6
PubChem CID	137534047
IUPAC Name	N-methyl-3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]benzenesulfonamide
Molecular Formula	C18H17F3N4O2S
Molecular Weight	410.4
XLogP	3.1
Topological Polar Surface Area	84.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	617

SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)NC2=CC=C(C=C2)C(F)(F)F)C3=CN(C=N3)C

InChI

InChI=1S/C18H17F3N4O2S/c1-22-28(26,27)14-7-8-16(15(9-14)17-10-25(2)11-23-17)24-13-5-3-12(4-6-13)18(19,20)21/h3-11,22,24H,1-2H3

InChIKey

LLCVDQHLYHBAHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2290608-13-6

CID: 137534047

Formula: C18H17F3N4O2S

MW: 410.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.4
XLogP3	3.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	410.10243146
Monoisotopic Mass	410.10243146
Topological Polar Surface Area	84.4 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

Catalog	Name
BUP12097-01	VT104
BUP11956-01	VT107

Catalog	Name
BA9121-1	VT103