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877316-38-6 | Sulfamide, (benzo[b]thien-3-ylmethyl)-
CAS No: 877316-38-6 Catalog No: AG004GAL MDL No:MFCD18782634
Product Description
Catalog Number:
AG004GAL
Chemical Name:
Sulfamide, (benzo[b]thien-3-ylmethyl)-
CAS Number:
877316-38-6
Molecular Formula:
C9H10N2O2S2
Molecular Weight:
242.3179
MDL Number:
MFCD18782634
IUPAC Name:
3-[(sulfamoylamino)methyl]-1-benzothiophene
InChI:
InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
InChI Key:
AWSKBQNOSRREEY-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)NCc1csc2c1cccc2
UNII:
QFG58Y96EP
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.311g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Novel, broad-spectrum anticonvulsants containing a sulfamide group: advancement of N-((benzo[b]thien-3-yl)methyl)sulfamide (JNJ-26990990) into human clinical studies. | Journal of medicinal chemistry 20091210 |
| 2009 Edward E Smissman Award. Pharmaceutical 'gold' from neurostabilizing agents: topiramate and successor molecules. | Journal of medicinal chemistry 20090611 |
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