[2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone

C25H22FN3O4S — CID 56668348

IUPAC[2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(S(=O)(=O)n2cc(C(=O)c3ccc(F)cc3)nc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H22FN3O4S/c1-28(2)20-10-6-18(7-11-20)25-27-23(24(30)17-4-8-19(26)9-5-17)16-29(25)34(31,32)22-14-12-21(33-3)13-15-22/h4-16H,1-3H3
InChIKeyAKQRYLRLIVHVAC-UHFFFAOYSA-N
MW479.53 g/mol
LogP4.23
Rot. Bonds7

About [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone

[2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone (PubChem CID 56668348) has the molecular formula C25H22FN3O4S and a molecular weight of 479.53 g/mol. Its IUPAC name is [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone
PubChem CID56668348
Molecular FormulaC25H22FN3O4S
Molecular Weight479.53 g/mol
Exact Mass479.13
IUPAC Name[2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone
SMILESCOc1ccc(S(=O)(=O)n2cc(C(=O)c3ccc(F)cc3)nc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H22FN3O4S/c1-28(2)20-10-6-18(7-11-20)25-27-23(24(30)17-4-8-19(26)9-5-17)16-29(25)34(31,32)22-14-12-21(33-3)13-15-22/h4-16H,1-3H3
InChIKeyAKQRYLRLIVHVAC-UHFFFAOYSA-N
XLogP4.23
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone (CID 56668348) is [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone is COc1ccc(S(=O)(=O)n2cc(C(=O)c3ccc(F)cc3)nc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is AKQRYLRLIVHVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4S/c1-28(2)20-10-6-18(7-11-20)25-27-23(24(30)17-4-8-19(26)9-5-17)16-29(25)34(31,32)22-14-12-21(33-3)13-15-22/h4-16H,1-3H3.
What are the key properties of [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone?
[2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 479.53 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)sulfonylimidazol-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 56668348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).