4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide

C81H82F11N13O9S4 — CID 159629776

IUPAC4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide
SMILESCc1ccc(C)c(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(C)c(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1ccc(C)c(Cn2cc(CN3CCC(F)(F)CC3)nc2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1ccc(C)c(Cn2cc(CO)nc2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C24H27F3N4O2S.C19H17F4N3O2S.C19H18F3N3O2S.C19H20FN3O3S/c1-16-3-4-17(2)18(11-16)13-31-15-19(14-30-9-7-24(26,27)8-10-30)29-23(31)21-6-5-20(12-22(21)25)34(28,32)33;1-11-3-4-12(2)13(7-11)9-26-10-17(19(21,22)23)25-18(26)15-6-5-14(8-16(15)20)29(24,27)28;1-12-3-4-13(2)15(9-12)10-25-11-17(19(20,21)22)24-18(25)14-5-7-16(8-6-14)28(23,26)27;1-12-3-4-13(2)14(7-12)9-23-10-15(11-24)22-19(23)17-6-5-16(8-18(17)20)27(21,25)26/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,28,32,33);3-8,10H,9H2,1-2H3,(H2,24,27,28);3-9,11H,10H2,1-2H3,(H2,23,26,27);3-8,10,24H,9,11H2,1-2H3,(H2,21,25,26)
InChIKeyMOYVZLWKARYEBK-UHFFFAOYSA-N
MW1718.87 g/mol
LogP14.63
Rot. Bonds19

About 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide

4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide (PubChem CID 159629776) has the molecular formula C81H82F11N13O9S4 and a molecular weight of 1718.87 g/mol. Its IUPAC name is 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide
PubChem CID159629776
Molecular FormulaC81H82F11N13O9S4
Molecular Weight1718.87 g/mol
Exact Mass1717.51
IUPAC Name4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide
SMILESCc1ccc(C)c(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(C)c(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1ccc(C)c(Cn2cc(CN3CCC(F)(F)CC3)nc2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1ccc(C)c(Cn2cc(CO)nc2-c2ccc(S(N)(=O)=O)cc2F)c1
InChIInChI=1S/C24H27F3N4O2S.C19H17F4N3O2S.C19H18F3N3O2S.C19H20FN3O3S/c1-16-3-4-17(2)18(11-16)13-31-15-19(14-30-9-7-24(26,27)8-10-30)29-23(31)21-6-5-20(12-22(21)25)34(28,32)33;1-11-3-4-12(2)13(7-11)9-26-10-17(19(21,22)23)25-18(26)15-6-5-14(8-16(15)20)29(24,27)28;1-12-3-4-13(2)15(9-12)10-25-11-17(19(20,21)22)24-18(25)14-5-7-16(8-6-14)28(23,26)27;1-12-3-4-13(2)14(7-12)9-23-10-15(11-24)22-19(23)17-6-5-16(8-18(17)20)27(21,25)26/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,28,32,33);3-8,10H,9H2,1-2H3,(H2,24,27,28);3-9,11H,10H2,1-2H3,(H2,23,26,27);3-8,10,24H,9,11H2,1-2H3,(H2,21,25,26)
InChIKeyMOYVZLWKARYEBK-UHFFFAOYSA-N
XLogP14.63
TPSA335.39 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001718.87
LogP ≤ 514.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide (CID 159629776) is 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide is Cc1ccc(C)c(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)c1.Cc1ccc(C)c(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1ccc(C)c(Cn2cc(CN3CCC(F)(F)CC3)nc2-c2ccc(S(N)(=O)=O)cc2F)c1.Cc1ccc(C)c(Cn2cc(CO)nc2-c2ccc(S(N)(=O)=O)cc2F)c1.
What is the InChIKey of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide?
The InChIKey is MOYVZLWKARYEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2S.C19H17F4N3O2S.C19H18F3N3O2S.C19H20FN3O3S/c1-16-3-4-17(2)18(11-16)13-31-15-19(14-30-9-7-24(26,27)8-10-30)29-23(31)21-6-5-20(12-22(21)25)34(28,32)33;1-11-3-4-12(2)13(7-11)9-26-10-17(19(21,22)23)25-18(26)15-6-5-14(8-16(15)20)29(24,27)28;1-12-3-4-13(2)15(9-12)10-25-11-17(19(20,21)22)24-18(25)14-5-7-16(8-6-14)28(23,26)27;1-12-3-4-13(2)14(7-12)9-23-10-15(11-24)22-19(23)17-6-5-16(8-18(17)20)27(21,25)26/h3-6,11-12,15H,7-10,13-14H2,1-2H3,(H2,28,32,33);3-8,10H,9H2,1-2H3,(H2,24,27,28);3-9,11H,10H2,1-2H3,(H2,23,26,27);3-8,10,24H,9,11H2,1-2H3,(H2,21,25,26).
What are the key properties of 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide?
4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide has a molecular weight of 1718.87 g/mol, XLogP of 14.63, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4,4-difluoropiperidin-1-yl)methyl]-1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide;4-[1-[(2,5-dimethylphenyl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 159629776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).