TH 263

CAT: 0926-NMA52094-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-NMA52094-02Size:100 mg

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

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CAS Number

313520-94-4

Smiles

C1=CC=C (C=C1) CNC (=O) C2=CC=C (C=C2) S (=O) (=O) NCC3=CC=CC=C3

Molecular Formula

C21H20N2O3S

Molecular Weight

380.5 g/mol

Controlled

Chemical Information

N-benzyl-4-(benzylsulfamoyl)benzamide

CAS Number	313520-94-4
PubChem CID	4371240
IUPAC Name	N-benzyl-4-(benzylsulfamoyl)benzamide
Molecular Formula	C21H20N2O3S
Molecular Weight	380.5
XLogP	3.2
Topological Polar Surface Area	83.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	552

SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c24-21(22-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)27(25,26)23-16-18-9-5-2-6-10-18/h1-14,23H,15-16H2,(H,22,24)

InChIKey

QDGVJMITKNOVTP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 313520-94-4

CID: 4371240

Formula: C21H20N2O3S

MW: 380.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	380.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	380.11946368
Monoisotopic Mass	380.11946368
Topological Polar Surface Area	83.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	552
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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