CAS 309-91-1 | Benzenesulfonamide, N,N-diethyl-4-fluoro- | CAS Number 309-91-1

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309-91-1 | Benzenesulfonamide, N,N-diethyl-4-fluoro-

CAS No: 309-91-1 Catalog No: AG0031MQ MDL No:MFCD01213080

Product Description

Catalog Number:

AG0031MQ

Chemical Name:

Benzenesulfonamide, N,N-diethyl-4-fluoro-

CAS Number:

309-91-1

Molecular Formula:

C10H14FNO2S

Molecular Weight:

231.2871

MDL Number:

MFCD01213080

IUPAC Name:

N,N-diethyl-4-fluorobenzenesulfonamide

InChI:

InChI=1S/C10H14FNO2S/c1-3-12(4-2)15(13,14)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3

InChI Key:

RQOUFSQZCQYRKK-UHFFFAOYSA-N

SMILES:

CCN(S(=O)(=O)c1ccc(cc1)F)CC

Properties

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.285g/mol

Monoisotopic Mass:

231.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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