Azabon

CAT: 0926-BAA15020-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA15020-01Size:25 mg

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CAS Number

1150-20-5

MDL Number

MFCD00868089

Smiles

C1=CC=C2C (=C1) C (=O) N (C2=O) CCC (=O) CN.Cl

Molecular Formula

C14H20N2O2S

Molecular Weight

280.39 g/mol

Controlled

Chemical Information

Azabon

Azabon is a member of benzenes and a sulfonamide.

CAS Number	1150-20-5
PubChem CID	14380
IUPAC Name	4-(3-azabicyclo[3.2.2]nonan-3-ylsulfonyl)aniline
Molecular Formula	C14H20N2O2S
Molecular Weight	280.39
XLogP	1.9
Topological Polar Surface Area	71.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	388

SMILES

C1CC2CCC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H20N2O2S/c15-13-5-7-14(8-6-13)19(17,18)16-9-11-1-2-12(10-16)4-3-11/h5-8,11-12H,1-4,9-10,15H2

InChIKey

RQBNXPJPWKUTOG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1150-20-5

CID: 14380

Formula: C14H20N2O2S

MW: 280.39

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	280.39
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	280.12454906
Monoisotopic Mass	280.12454906
Topological Polar Surface Area	71.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	388
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