3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide

C106H110F8N18O10S5 — CID 163422069

About 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide

3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide (PubChem CID 163422069) has the molecular formula C106H110F8N18O10S5 and a molecular weight of 2108.48 g/mol. Its IUPAC name is 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide.

Molecular Properties

• Compound Name: 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide
• PubChem CID: 163422069
• Molecular Formula: C106H110F8N18O10S5
• Molecular Weight: 2108.48 g/mol
• Exact Mass: 2106.71
• IUPAC Name: 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide
• SMILES: CCn1cnc(-c2cc(S(=O)(=O)NC)ccc2Cc2cccc(C(C)(F)F)c2)c1.CNS(=O)(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2cn(C3CC3)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2cn(C3CC3)cn2)c1.CNS(=O)(=O)c1ccc(Nc2ccc(-c3ccccc3)cc2)c(-c2nnn(C)n2)c1
• InChI: InChI=1S/2C22H23F2N3O2S.C21H23F2N3O2S.C21H20N6O2S.C20H21F2N3O2S/c1-22(23,24)17-6-3-15(4-7-17)11-16-5-10-19(30(28,29)25-2)12-20(16)21-13-27(14-26-21)18-8-9-18;1-22(23,24)17-5-3-4-15(11-17)10-16-6-9-19(30(28,29)25-2)12-20(16)21-13-27(14-26-21)18-7-8-18;1-4-26-13-20(25-14-26)19-12-18(29(27,28)24-3)9-8-16(19)10-15-6-5-7-17(11-15)21(2,22)23;1-22-30(28,29)18-12-13-20(19(14-18)21-24-26-27(2)25-21)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15;1-20(21,22)16-6-4-5-14(10-16)9-15-7-8-17(28(26,27)23-2)11-18(15)19-12-25(3)13-24-19/h3-7,10,12-14,18,25H,8-9,11H2,1-2H3;3-6,9,11-14,18,25H,7-8,10H2,1-2H3;5-9,11-14,24H,4,10H2,1-3H3;3-14,22-23H,1-2H3;4-8,10-13,23H,9H2,1-3H3
• InChIKey: AJHGKNPMVXJRHZ-UHFFFAOYSA-N
• XLogP: 20.07
• TPSA: 357.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 33
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2108.48
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide?

The IUPAC name of 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide (CID 163422069) is 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide.

What is the SMILES notation for 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide?

The canonical SMILES for 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide is CCn1cnc(-c2cc(S(=O)(=O)NC)ccc2Cc2cccc(C(C)(F)F)c2)c1.CNS(=O)(=O)c1ccc(Cc2ccc(C(C)(F)F)cc2)c(-c2cn(C3CC3)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2cn(C)cn2)c1.CNS(=O)(=O)c1ccc(Cc2cccc(C(C)(F)F)c2)c(-c2cn(C3CC3)cn2)c1.CNS(=O)(=O)c1ccc(Nc2ccc(-c3ccccc3)cc2)c(-c2nnn(C)n2)c1.

What is the InChIKey of 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide?

The InChIKey is AJHGKNPMVXJRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H23F2N3O2S.C21H23F2N3O2S.C21H20N6O2S.C20H21F2N3O2S/c1-22(23,24)17-6-3-15(4-7-17)11-16-5-10-19(30(28,29)25-2)12-20(16)21-13-27(14-26-21)18-8-9-18;1-22(23,24)17-5-3-4-15(11-17)10-16-6-9-19(30(28,29)25-2)12-20(16)21-13-27(14-26-21)18-7-8-18;1-4-26-13-20(25-14-26)19-12-18(29(27,28)24-3)9-8-16(19)10-15-6-5-7-17(11-15)21(2,22)23;1-22-30(28,29)18-12-13-20(19(14-18)21-24-26-27(2)25-21)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15;1-20(21,22)16-6-4-5-14(10-16)9-15-7-8-17(28(26,27)23-2)11-18(15)19-12-25(3)13-24-19/h3-7,10,12-14,18,25H,8-9,11H2,1-2H3;3-6,9,11-14,18,25H,7-8,10H2,1-2H3;5-9,11-14,24H,4,10H2,1-3H3;3-14,22-23H,1-2H3;4-8,10-13,23H,9H2,1-3H3.

What are the key properties of 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide?

3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide has a molecular weight of 2108.48 g/mol, XLogP of 20.07, 33 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cyclopropylimidazol-4-yl)-4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;3-(1-cyclopropylimidazol-4-yl)-4-[[4-(1,1-difluoroethyl)phenyl]methyl]-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-ethylimidazol-4-yl)-N-methylbenzenesulfonamide;4-[[3-(1,1-difluoroethyl)phenyl]methyl]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide;N-methyl-3-(2-methyltetrazol-5-yl)-4-(4-phenylanilino)benzenesulfonamide is sourced from PubChem (CID 163422069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).