CAS 1138-58-5 | Benzenesulfonamide, 4-butoxy- | CAS Number 1138-58-5

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1138-58-5 | Benzenesulfonamide, 4-butoxy-

CAS No: 1138-58-5 Catalog No: AG0009QD MDL No:MFCD00833414

Product Description

Catalog Number:

AG0009QD

Chemical Name:

Benzenesulfonamide, 4-butoxy-

CAS Number:

1138-58-5

Molecular Formula:

C10H15NO3S

Molecular Weight:

229.2960

MDL Number:

MFCD00833414

IUPAC Name:

4-butoxybenzenesulfonamide

InChI:

InChI=1S/C10H15NO3S/c1-2-3-8-14-9-4-6-10(7-5-9)15(11,12)13/h4-7H,2-3,8H2,1H3,(H2,11,12,13)

InChI Key:

GJCVWKPGGOMFQR-UHFFFAOYSA-N

SMILES:

CCCCOc1ccc(cc1)S(=O)(=O)N

Properties

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.294g/mol

Monoisotopic Mass:

229.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1

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