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26165-69-5 | Benzenesulfonamide, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS No: 26165-69-5 Catalog No: AG002RYH MDL No:
Product Description
Catalog Number:
AG002RYH
Chemical Name:
Benzenesulfonamide, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-
CAS Number:
26165-69-5
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
4-(2,5-dimethylpyrrol-1-yl)benzenesulfonamide
InChI:
InChI=1S/C12H14N2O2S/c1-9-3-4-10(2)14(9)11-5-7-12(8-6-11)17(13,15)16/h3-8H,1-2H3,(H2,13,15,16)
InChI Key:
STHWURXTZRCILS-UHFFFAOYSA-N
SMILES:
Cc1ccc(n1c1ccc(cc1)S(=O)(=O)N)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41. | Journal of medicinal chemistry 20081225 |
| Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors. | Bioorganic & medicinal chemistry 20080315 |
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