ELR510444 50mg

CAT: 0628-A15455-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A15455-50Size:50 mg

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

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CAS Number

1233948-35-0

Chemical Information

N-(5-(5-Cyanothiophen-2-yl)-2-methylphenyl)-4-methylbenzenesulfonamide

CAS Number	1233948-35-0
PubChem CID	46847888
IUPAC Name	N-[5-(5-cyanothiophen-2-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
Molecular Formula	C19H16N2O2S2
Molecular Weight	368.5
XLogP	4.6
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	25
Formal Charge	0
Complexity	599

SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C3=CC=C(S3)C#N)C

InChI

InChI=1S/C19H16N2O2S2/c1-13-3-8-17(9-4-13)25(22,23)21-18-11-15(6-5-14(18)2)19-10-7-16(12-20)24-19/h3-11,21H,1-2H3

InChIKey

GRYXROIHHXHFND-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1233948-35-0

CID: 46847888

Formula: C19H16N2O2S2

MW: 368.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	368.5
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	368.06532010
Monoisotopic Mass	368.06532010
Topological Polar Surface Area	107 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	599
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

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