COH34 analog 1

CAT: 0127-BUP02145-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP02145-01Size:5 mg

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

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CAS Number

314248-24-3

Purity

=98%

Smiles

Cc1ccc(cc1)S(=O)(=O)\N=C\c1c(O)ccc2ccccc12

Chemical Information

N-(2-Hydroxy-naphthalen-1-ylmethylene)-4-methyl-benzenesulfonamide

CAS Number	314248-24-3
PubChem CID	135403133
IUPAC Name	(NE)-N-[(2-hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonamide
Molecular Formula	C18H15NO3S
Molecular Weight	325.4
XLogP	4.1
Topological Polar Surface Area	75.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	517

SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C/C2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C18H15NO3S/c1-13-6-9-15(10-7-13)23(21,22)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-12,20H,1H3/b19-12+

InChIKey

WCYGPLQLYOSVIH-XDHOZWIPSA-N

Chemical Structure

2D Structure

CAS: 314248-24-3

CID: 135403133

Formula: C18H15NO3S

MW: 325.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	325.4
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	325.07726451
Monoisotopic Mass	325.07726451
Topological Polar Surface Area	75.1 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	517
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
C8461-5	COH34 analog 1
BA4421-1	COH34