(2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

C121H99ClF26N14O17S5 — CID 158824205

About (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 158824205) has the molecular formula C121H99ClF26N14O17S5 and a molecular weight of 2710.94 g/mol. Its IUPAC name is (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
• PubChem CID: 158824205
• Molecular Formula: C121H99ClF26N14O17S5
• Molecular Weight: 2710.94 g/mol
• Exact Mass: 2708.52
• IUPAC Name: (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
• SMILES: O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1Cl)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1ccnc(-c2ccc(OC(F)F)cc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
• InChI: InChI=1S/2C25H20F6N2O3S.C24H20F5N3O4S.C24H21F4N3O4S.C23H18ClF5N4O3S/c26-18-4-6-20(7-5-18)37(35,36)33-14-19(27)12-23(33)24(34)10-2-15-11-16(1-8-21(15)28)22-9-3-17(13-32-22)25(29,30)31;26-18-4-6-20(7-5-18)37(35,36)33-14-19(27)12-22(33)23(34)9-2-16-11-15(1-8-21(16)28)17-3-10-24(32-13-17)25(29,30)31;25-17-3-7-20(8-4-17)37(34,35)32-14-18(26)12-22(32)23(33)31-13-15-9-10-30-21(11-15)16-1-5-19(6-2-16)36-24(27,28)29;25-17-3-7-20(8-4-17)36(33,34)31-14-18(26)12-22(31)23(32)30-13-15-9-10-29-21(11-15)16-1-5-19(6-2-16)35-24(27)28;24-19-6-1-13(15-10-31-22(32-11-15)23(27,28)29)7-14(19)9-30-21(34)20-8-17(26)12-33(20)37(35,36)18-4-2-16(25)3-5-18/h1,3-9,11,13,19,23H,2,10,12,14H2;1,3-8,10-11,13,19,22H,2,9,12,14H2;1-11,18,22H,12-14H2,(H,31,33);1-11,18,22,24H,12-14H2,(H,30,32);1-7,10-11,17,20H,8-9,12H2,(H,30,34)/t19-,23+;19-,22+;2*18-,22+;17-,20+/m11111/s1
• InChIKey: IWGDGBBHYBJRRK-CNQYBDRDSA-N
• XLogP: 23.18
• TPSA: 404.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 35
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2710.94
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 158824205) is (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(CCc1cc(-c2ccc(C(F)(F)F)cn2)ccc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ccc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1cc(-c2cnc(C(F)(F)F)nc2)ccc1Cl)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1ccnc(-c2ccc(OC(F)(F)F)cc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(NCc1ccnc(-c2ccc(OC(F)F)cc2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.

What is the InChIKey of (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

The InChIKey is IWGDGBBHYBJRRK-CNQYBDRDSA-N. The full InChI is InChI=1S/2C25H20F6N2O3S.C24H20F5N3O4S.C24H21F4N3O4S.C23H18ClF5N4O3S/c26-18-4-6-20(7-5-18)37(35,36)33-14-19(27)12-23(33)24(34)10-2-15-11-16(1-8-21(15)28)22-9-3-17(13-32-22)25(29,30)31;26-18-4-6-20(7-5-18)37(35,36)33-14-19(27)12-22(33)23(34)9-2-16-11-15(1-8-21(16)28)17-3-10-24(32-13-17)25(29,30)31;25-17-3-7-20(8-4-17)37(34,35)32-14-18(26)12-22(32)23(33)31-13-15-9-10-30-21(11-15)16-1-5-19(6-2-16)36-24(27,28)29;25-17-3-7-20(8-4-17)36(33,34)31-14-18(26)12-22(31)23(32)30-13-15-9-10-29-21(11-15)16-1-5-19(6-2-16)35-24(27)28;24-19-6-1-13(15-10-31-22(32-11-15)23(27,28)29)7-14(19)9-30-21(34)20-8-17(26)12-33(20)37(35,36)18-4-2-16(25)3-5-18/h1,3-9,11,13,19,23H,2,10,12,14H2;1,3-8,10-11,13,19,22H,2,9,12,14H2;1-11,18,22H,12-14H2,(H,31,33);1-11,18,22,24H,12-14H2,(H,30,32);1-7,10-11,17,20H,8-9,12H2,(H,30,34)/t19-,23+;19-,22+;2*18-,22+;17-,20+/m11111/s1.

What are the key properties of (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?

(2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 2710.94 g/mol, XLogP of 23.18, 35 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-N-[[2-chloro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[2-[4-(difluoromethoxy)phenyl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[2-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 158824205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).