OU749

CAT: 0127-BUP12965-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12965-04Size:50 mg

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

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CAS Number

519170-13-9

Purity

=98%

Smiles

COC1=CC=C(CC2=NN=C(NS(=O)(=O)C3=CC=CC=C3)S2)C=C1

Chemical Information

N-(5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl)benzenesulfonamide

structure in first source

CAS Number	519170-13-9
PubChem CID	2177065
IUPAC Name	N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Molecular Formula	C16H15N3O3S2
Molecular Weight	361.4
XLogP	2.8
Topological Polar Surface Area	118
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	483

SMILES

COC1=CC=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3S2/c1-22-13-9-7-12(8-10-13)11-15-17-18-16(23-15)19-24(20,21)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)

InChIKey

QCXWBMZVLJCKHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 519170-13-9

CID: 2177065

Formula: C16H15N3O3S2

MW: 361.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	361.4
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	361.05548370
Monoisotopic Mass	361.05548370
Topological Polar Surface Area	118 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	483
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
C4135-25	OU749