4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole

C19H19FN6O2S2 — CID 53006688

IUPAC4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCN=C1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN6O2S2/c20-14-4-6-15(7-5-14)24-10-12-25(13-11-24)19-21-8-9-26(19)30(27,28)17-3-1-2-16-18(17)23-29-22-16/h1-7H,8-13H2
InChIKeyADJOPNAXASFZBD-UHFFFAOYSA-N
MW446.53 g/mol
LogP2.01
Rot. Bonds3

About 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole

4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole (PubChem CID 53006688) has the molecular formula C19H19FN6O2S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole
PubChem CID53006688
Molecular FormulaC19H19FN6O2S2
Molecular Weight446.53 g/mol
Exact Mass446.10
IUPAC Name4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole
SMILESO=S(=O)(c1cccc2nsnc12)N1CCN=C1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN6O2S2/c20-14-4-6-15(7-5-14)24-10-12-25(13-11-24)19-21-8-9-26(19)30(27,28)17-3-1-2-16-18(17)23-29-22-16/h1-7H,8-13H2
InChIKeyADJOPNAXASFZBD-UHFFFAOYSA-N
XLogP2.01
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole?
The IUPAC name of 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole (CID 53006688) is 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole?
The canonical SMILES for 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole is O=S(=O)(c1cccc2nsnc12)N1CCN=C1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole?
The InChIKey is ADJOPNAXASFZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2S2/c20-14-4-6-15(7-5-14)24-10-12-25(13-11-24)19-21-8-9-26(19)30(27,28)17-3-1-2-16-18(17)23-29-22-16/h1-7H,8-13H2.
What are the key properties of 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole?
4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole has a molecular weight of 446.53 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-4,5-dihydroimidazol-1-yl]sulfonyl]-2,1,3-benzothiadiazole is sourced from PubChem (CID 53006688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).