CAS 5906-30-9 | 1-Piperazinesulfonamide(7CI,8CI,9CI) | CAS Number 5906-30-9

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5906-30-9 | 1-Piperazinesulfonamide(7CI,8CI,9CI)

CAS No: 5906-30-9 Catalog No: AG00EIWB MDL No:MFCD09040496

Product Description

Catalog Number:

AG00EIWB

Chemical Name:

1-Piperazinesulfonamide(7CI,8CI,9CI)

CAS Number:

5906-30-9

Molecular Formula:

C4H11N3O2S

Molecular Weight:

165.2140

MDL Number:

MFCD09040496

IUPAC Name:

piperazine-1-sulfonamide

InChI:

InChI=1S/C4H11N3O2S/c5-10(8,9)7-3-1-6-2-4-7/h6H,1-4H2,(H2,5,8,9)

InChI Key:

DWXLVZSMXXCSMJ-UHFFFAOYSA-N

SMILES:

NS(=O)(=O)N1CCNCC1

Properties

Complexity:

189

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.211g/mol

Monoisotopic Mass:

165.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.8

Literature

Title	Journal
The tertiary amine nitrogen atom of piperazine sulfonamides as a novel determinant of potent and selective beta3-adrenoceptor agonists.	ChemMedChem 20091201
Synthesis and phosphodiesterase 5 inhibitory activity of novel pyrido[1,2-e]purin-4(3H)-one derivatives.	Bioorganic & medicinal chemistry letters 20050602