N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide

C97H93F20N17O11S4 — CID 160759386

About N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide

N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide (PubChem CID 160759386) has the molecular formula C97H93F20N17O11S4 and a molecular weight of 2181.15 g/mol. Its IUPAC name is N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide
• PubChem CID: 160759386
• Molecular Formula: C97H93F20N17O11S4
• Molecular Weight: 2181.15 g/mol
• Exact Mass: 2179.58
• IUPAC Name: N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(-n3cc(CN(C4CC4)S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)cn3)cc2)CC1.Cc1ccc(CN(C2COC2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnn(-c2ccc(N3CCCCC3)cn2)c1)C1CC1.O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnn(-c2ccc(N3CCN(Cc4ccccc4)CC3)cn2)c1)C1CC1
• InChI: InChI=1S/C29H27F5N6O2S.C28H30F5N5O4S.C23H22F5N5O2S.C17H14F5NO3S/c30-24-25(31)27(33)29(28(34)26(24)32)43(41,42)40(21-6-7-21)18-20-14-36-39(17-20)23-9-8-22(15-35-23)38-12-10-37(11-13-38)16-19-4-2-1-3-5-19;1-28(2,3)42-27(39)36-12-10-35(11-13-36)18-4-6-19(7-5-18)37-15-17(14-34-37)16-38(20-8-9-20)43(40,41)26-24(32)22(30)21(29)23(31)25(26)33;24-18-19(25)21(27)23(22(28)20(18)26)36(34,35)33(15-4-5-15)13-14-10-30-32(12-14)17-7-6-16(11-29-17)31-8-2-1-3-9-31;1-9-2-4-10(5-3-9)6-23(11-7-26-8-11)27(24,25)17-15(21)13(19)12(18)14(20)16(17)22/h1-5,8-9,14-15,17,21H,6-7,10-13,16,18H2;4-7,14-15,20H,8-13,16H2,1-3H3;6-7,10-12,15H,1-5,8-9,13H2;2-5,11H,6-8H2,1H3
• InChIKey: RXVWUOOLBUWWEO-UHFFFAOYSA-N
• XLogP: 17.20
• TPSA: 280.49 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2181.15
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide?

The IUPAC name of N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide (CID 160759386) is N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide.

What is the SMILES notation for N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide?

The canonical SMILES for N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide is CC(C)(C)OC(=O)N1CCN(c2ccc(-n3cc(CN(C4CC4)S(=O)(=O)c4c(F)c(F)c(F)c(F)c4F)cn3)cc2)CC1.Cc1ccc(CN(C2COC2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnn(-c2ccc(N3CCCCC3)cn2)c1)C1CC1.O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnn(-c2ccc(N3CCN(Cc4ccccc4)CC3)cn2)c1)C1CC1.

What is the InChIKey of N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide?

The InChIKey is RXVWUOOLBUWWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F5N6O2S.C28H30F5N5O4S.C23H22F5N5O2S.C17H14F5NO3S/c30-24-25(31)27(33)29(28(34)26(24)32)43(41,42)40(21-6-7-21)18-20-14-36-39(17-20)23-9-8-22(15-35-23)38-12-10-37(11-13-38)16-19-4-2-1-3-5-19;1-28(2,3)42-27(39)36-12-10-35(11-13-36)18-4-6-19(7-5-18)37-15-17(14-34-37)16-38(20-8-9-20)43(40,41)26-24(32)22(30)21(29)23(31)25(26)33;24-18-19(25)21(27)23(22(28)20(18)26)36(34,35)33(15-4-5-15)13-14-10-30-32(12-14)17-7-6-16(11-29-17)31-8-2-1-3-9-31;1-9-2-4-10(5-3-9)6-23(11-7-26-8-11)27(24,25)17-15(21)13(19)12(18)14(20)16(17)22/h1-5,8-9,14-15,17,21H,6-7,10-13,16,18H2;4-7,14-15,20H,8-13,16H2,1-3H3;6-7,10-12,15H,1-5,8-9,13H2;2-5,11H,6-8H2,1H3.

What are the key properties of N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide?

N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide has a molecular weight of 2181.15 g/mol, XLogP of 17.20, 28 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]methyl]-N-cyclopropyl-2,3,4,5,6-pentafluorobenzenesulfonamide;tert-butyl 4-[4-[4-[[cyclopropyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]methyl]pyrazol-1-yl]phenyl]piperazine-1-carboxylate;N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[[1-(5-piperidin-1-yl-2-pyridinyl)pyrazol-4-yl]methyl]benzenesulfonamide;2,3,4,5,6-pentafluoro-N-[(4-methylphenyl)methyl]-N-(oxetan-3-yl)benzenesulfonamide is sourced from PubChem (CID 160759386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).