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173374-91-9 | 1H-Benzimidazol-2-amine, 1-(phenylsulfonyl)-
CAS No: 173374-91-9 Catalog No: AG001YUP MDL No:
Product Description
Catalog Number:
AG001YUP
Chemical Name:
1H-Benzimidazol-2-amine, 1-(phenylsulfonyl)-
CAS Number:
173374-91-9
Molecular Formula:
C13H11N3O2S
Molecular Weight:
273.3103
IUPAC Name:
1-(benzenesulfonyl)benzimidazol-2-amine
InChI:
InChI=1S/C13H11N3O2S/c14-13-15-11-8-4-5-9-12(11)16(13)19(17,18)10-6-2-1-3-7-10/h1-9H,(H2,14,15)
InChI Key:
KNZWBHGWTXXRTB-UHFFFAOYSA-N
SMILES:
Nc1nc2c(n1S(=O)(=O)c1ccccc1)cccc2
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.31g/mol
Monoisotopic Mass:
273.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Identification of Inhibitors of NOD1-Induced Nuclear Factor-κB Activation. | ACS medicinal chemistry letters 20111013 |
| 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 |
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