BE1218

CAT: 0127-BUP12791-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12791-05Size:100 mg

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CAS Number

2893967-40-1

Purity

=98%

Smiles

N(S(=O)(=O)C1=C(C)C=C(C)C=C1C)(CC2=CC=C(C=C2)C3=CC(S(C)(=O)=O)=CC=C3)CC4=C(F)C=CC=C4

Chemical Information

N-(2-Fluorobenzyl)-2,4,6-trimethyl-N-((3'-(methylsulfonyl)-[1,1'-biphenyl]-4-yl)methyl)benzenesulfonamide

CAS Number	2893967-40-1
PubChem CID	164887446
IUPAC Name	N-[(2-fluorophenyl)methyl]-2,4,6-trimethyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]benzenesulfonamide
Molecular Formula	C30H30FNO4S2
Molecular Weight	551.7
XLogP	6.1
Topological Polar Surface Area	88.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	38
Formal Charge	0
Complexity	955

SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C)CC4=CC=CC=C4F)C

InChI

InChI=1S/C30H30FNO4S2/c1-21-16-22(2)30(23(3)17-21)38(35,36)32(20-27-8-5-6-11-29(27)31)19-24-12-14-25(15-13-24)26-9-7-10-28(18-26)37(4,33)34/h5-18H,19-20H2,1-4H3

InChIKey

YZKNHPOMZOAMSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2893967-40-1

CID: 164887446

Formula: C30H30FNO4S2

MW: 551.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	551.7
XLogP3	6.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	551.16002895
Monoisotopic Mass	551.16002895
Topological Polar Surface Area	88.3 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	955
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

Alternative Products

Catalog	Name
GTR19184714-01	BE1218

BE1218

Chemical Information

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