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23705-37-5 | N-propylbenzenesulfonamide
CAS No: 23705-37-5 Catalog No: AG019OXQ MDL No:MFCD01212648
Product Description
Catalog Number:
AG019OXQ
Chemical Name:
N-propylbenzenesulfonamide
CAS Number:
23705-37-5
Molecular Formula:
C9H13NO2S
Molecular Weight:
199.2700
MDL Number:
MFCD01212648
IUPAC Name:
N-propylbenzenesulfonamide
InChI:
InChI=1S/C9H13NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChI Key:
OKPTYPHVKNNPSG-UHFFFAOYSA-N
SMILES:
CCCNS(=O)(=O)c1ccccc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.268g/mol
Monoisotopic Mass:
199.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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