HMN-154

CAT: 0127-BUP09300-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09300-02Size:10 mg

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CAS Number

173528-92-2

Synonyms

HMN154

Purity

=95%

Smiles

COc1ccc(cc1)S(=O)(=O)Nc1ccccc1\C=C\c1ccncc1

Chemical Information

Hmn 154

benzenesulfonamide compound; structure in first source

CAS Number	173528-92-2
PubChem CID	6366736
IUPAC Name	4-methoxy-N-[2-[(E)-2-pyridin-4-ylethenyl]phenyl]benzenesulfonamide
Molecular Formula	C20H18N2O3S
Molecular Weight	366.4
XLogP	3.5
Topological Polar Surface Area	76.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	544

SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2/C=C/C3=CC=NC=C3

InChI

InChI=1S/C20H18N2O3S/c1-25-18-8-10-19(11-9-18)26(23,24)22-20-5-3-2-4-17(20)7-6-16-12-14-21-15-13-16/h2-15,22H,1H3/b7-6+

InChIKey

CIJCDFMGZYKSSC-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 173528-92-2

CID: 6366736

Formula: C20H18N2O3S

MW: 366.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	366.4
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	366.10381361
Monoisotopic Mass	366.10381361
Topological Polar Surface Area	76.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	544
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