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100342-30-1 | 2-Thiophenesulfonamide, N-(1,1-dimethylethyl)-
CAS No: 100342-30-1 Catalog No: AG0001OP MDL No:MFCD02047252
Product Description
Catalog Number:
AG0001OP
Chemical Name:
2-Thiophenesulfonamide, N-(1,1-dimethylethyl)-
CAS Number:
100342-30-1
Molecular Formula:
C8H13NO2S2
Molecular Weight:
219.3243
MDL Number:
MFCD02047252
IUPAC Name:
N-tert-butylthiophene-2-sulfonamide
InChI:
InChI=1S/C8H13NO2S2/c1-8(2,3)9-13(10,11)7-5-4-6-12-7/h4-6,9H,1-3H3
InChI Key:
CLKMBGGZGFULOO-UHFFFAOYSA-N
SMILES:
CC(NS(=O)(=O)c1cccs1)(C)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.317g/mol
Monoisotopic Mass:
219.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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