CAS 16017-63-3 | 1-Piperazineethanol, 4-(phenylsulfonyl)- | CAS Number 16017-63-3

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16017-63-3 | 1-Piperazineethanol, 4-(phenylsulfonyl)-

CAS No: 16017-63-3 Catalog No: AG001RPZ MDL No:MFCD01211968

Product Description

Catalog Number:

AG001RPZ

Chemical Name:

1-Piperazineethanol, 4-(phenylsulfonyl)-

CAS Number:

16017-63-3

Molecular Formula:

C12H18N2O3S

Molecular Weight:

270.3479

MDL Number:

MFCD01211968

IUPAC Name:

2-[4-(benzenesulfonyl)piperazin-1-yl]ethanol

InChI:

InChI=1S/C12H18N2O3S/c15-11-10-13-6-8-14(9-7-13)18(16,17)12-4-2-1-3-5-12/h1-5,15H,6-11H2

InChI Key:

WUPAFAQQVCZXOD-UHFFFAOYSA-N

SMILES:

OCCN1CCN(CC1)S(=O)(=O)c1ccccc1

Properties

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

270.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

270.347g/mol

Monoisotopic Mass:

270.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Design, synthesis and antimalarial activity of benzene and isoquinoline sulfonamide derivatives.	Bioorganic & medicinal chemistry letters 20080115
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501