N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide

C97H111Cl4F13N22O18S8 — CID 158954083

About N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide

N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide (PubChem CID 158954083) has the molecular formula C97H111Cl4F13N22O18S8 and a molecular weight of 2518.41 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide
• PubChem CID: 158954083
• Molecular Formula: C97H111Cl4F13N22O18S8
• Molecular Weight: 2518.41 g/mol
• Exact Mass: 2514.48
• IUPAC Name: N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3n[nH]c(C(C)(C)O)n3)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl.CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)n3C)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl.CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3noc(C(C)(C)O)n3)nc2C(=O)N2CCC(F)(F)CC2)c(C(F)F)c1F.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)O)n3)nc2C(=O)N2CCC(F)CC2)c(C(F)F)c1F
• InChI: InChI=1S/C26H31F4N5O5S2.C24H28Cl2F2N6O4S2.C24H26F5N5O5S2.C23H26Cl2F2N6O4S2/c1-5-13(2)34-42(38,39)16-7-6-15(18(19(16)28)22(29)30)21-20(25(36)35-10-8-14(27)9-11-35)32-24(41-21)23-31-17(40-33-23)12-26(3,4)37;1-12(2)32-40(37,38)14-7-6-13(15(25)16(14)26)18-17(21(35)34-10-8-24(27,28)9-11-34)29-20(39-18)19-30-31-22(33(19)5)23(3,4)36;1-11(2)33-41(37,38)13-6-5-12(14(15(13)25)18(26)27)17-16(21(35)34-9-7-24(28,29)8-10-34)30-20(40-17)19-31-22(39-32-19)23(3,4)36;1-11(2)32-39(36,37)13-6-5-12(14(24)15(13)25)17-16(20(34)33-9-7-23(26,27)8-10-33)28-19(38-17)18-29-21(31-30-18)22(3,4)35/h6-7,13-14,22,34,37H,5,8-12H2,1-4H3;6-7,12,32,36H,8-11H2,1-5H3;5-6,11,18,33,36H,7-10H2,1-4H3;5-6,11,32,35H,7-10H2,1-4H3,(H,29,30,31)/t13-;;;/m1.../s1
• InChIKey: JLUHHTOQPMFFRR-BXUUEFRQSA-N
• XLogP: 19.01
• TPSA: 548.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2518.41
LogP ≤ 5	19.01
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide?

The IUPAC name of N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide (CID 158954083) is N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide?

The canonical SMILES for N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3n[nH]c(C(C)(C)O)n3)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl.CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3nnc(C(C)(C)O)n3C)nc2C(=O)N2CCC(F)(F)CC2)c(Cl)c1Cl.CC(C)NS(=O)(=O)c1ccc(-c2sc(-c3noc(C(C)(C)O)n3)nc2C(=O)N2CCC(F)(F)CC2)c(C(F)F)c1F.CC[C@@H](C)NS(=O)(=O)c1ccc(-c2sc(-c3noc(CC(C)(C)O)n3)nc2C(=O)N2CCC(F)CC2)c(C(F)F)c1F.

What is the InChIKey of N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide?

The InChIKey is JLUHHTOQPMFFRR-BXUUEFRQSA-N. The full InChI is InChI=1S/C26H31F4N5O5S2.C24H28Cl2F2N6O4S2.C24H26F5N5O5S2.C23H26Cl2F2N6O4S2/c1-5-13(2)34-42(38,39)16-7-6-15(18(19(16)28)22(29)30)21-20(25(36)35-10-8-14(27)9-11-35)32-24(41-21)23-31-17(40-33-23)12-26(3,4)37;1-12(2)32-40(37,38)14-7-6-13(15(25)16(14)26)18-17(21(35)34-10-8-24(27,28)9-11-34)29-20(39-18)19-30-31-22(33(19)5)23(3,4)36;1-11(2)33-41(37,38)13-6-5-12(14(15(13)25)18(26)27)17-16(21(35)34-9-7-24(28,29)8-10-34)30-20(40-17)19-31-22(39-32-19)23(3,4)36;1-11(2)32-39(36,37)13-6-5-12(14(24)15(13)25)17-16(20(34)33-9-7-23(26,27)8-10-33)28-19(38-17)18-29-21(31-30-18)22(3,4)35/h6-7,13-14,22,34,37H,5,8-12H2,1-4H3;6-7,12,32,36H,8-11H2,1-5H3;5-6,11,18,33,36H,7-10H2,1-4H3;5-6,11,32,35H,7-10H2,1-4H3,(H,29,30,31)/t13-;;;/m1.../s1.

What are the key properties of N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide?

N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide has a molecular weight of 2518.41 g/mol, XLogP of 19.01, 32 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-butan-2-yl]-3-(difluoromethyl)-2-fluoro-4-[4-(4-fluoropiperidine-1-carbonyl)-2-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]benzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-4-methyl-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;2,3-dichloro-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1H-1,2,4-triazol-3-yl]-1,3-thiazol-5-yl]-N-propan-2-ylbenzenesulfonamide;3-(difluoromethyl)-4-[4-(4,4-difluoropiperidine-1-carbonyl)-2-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-5-yl]-2-fluoro-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 158954083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).