Drug Information
General Information of This Drug
| Drug ID | DRG00174 | |||||
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| Drug Name | 2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonamide | |||||
| Synonyms |
378230-81-0; 2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonamide; 2,2,4,6,7-PENTAMETHYLDIHYDROBENZOFURAN-5-SULFONAMIDE; 2,2,4,6,7-PENTAMETHYL-3H-1-BENZOFURAN-5-SULFONAMIDE; Pbf-NH2; C13H19NO3S; SCHEMBL2477502; MFCD02093572; ZB1388; AKOS022182834; DS-16713; CS-0100890; F12164; A874002
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| Structure |
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| Formula |
C13H19NO3S
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 269.36 | ||||
| Lipid-water partition coefficient (xlogp) | 2.2 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 1 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 4 | |||||
| Rotatable Bond Count (rotbonds) | 1 | |||||
| PubChem CID | ||||||
| Canonical smiles |
CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)N)C
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| InChI |
InChI=1S/C13H19NO3S/c1-7-8(2)12(18(14,15)16)9(3)10-6-13(4,5)17-11(7)10/h6H2,1-5H3,(H2,14,15,16)
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| InChIKey |
GFKBZBDWCHNYFR-UHFFFAOYSA-N
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| IUPAC Name |
2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide
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