N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C58H80BClF6N10O10S2 — CID 160696255

About N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 160696255) has the molecular formula C58H80BClF6N10O10S2 and a molecular weight of 1301.72 g/mol. Its IUPAC name is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• PubChem CID: 160696255
• Molecular Formula: C58H80BClF6N10O10S2
• Molecular Weight: 1301.72 g/mol
• Exact Mass: 1300.52
• IUPAC Name: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
• SMILES: CC(C)S(=O)(=O)Nc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(NS(=O)(=O)C(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C26H34F3N5O4S.C20H28BF3N2O3.C12H18ClN3O3S/c1-17(2)39(36,37)32-23-12-20(13-24(31-23)33-8-10-38-11-9-33)22-14-21(5-4-18(22)3)30-25(35)34-7-6-19(16-34)15-26(27,28)29;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-9(2)20(17,18)15-11-7-10(13)8-12(14-11)16-3-5-19-6-4-16/h4-5,12-14,17,19H,6-11,15-16H2,1-3H3,(H,30,35)(H,31,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-9H,3-6H2,1-2H3,(H,14,15)/t19-;14-;/m00./s1
• InChIKey: RQANUAAQNVYERS-OHJBANLZSA-N
• XLogP: 10.67
• TPSA: 226.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1301.72
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 160696255) is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

What is the SMILES notation for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The canonical SMILES for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CC(C)S(=O)(=O)Nc1cc(Cl)cc(N2CCOCC2)n1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(NS(=O)(=O)C(C)C)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

The InChIKey is RQANUAAQNVYERS-OHJBANLZSA-N. The full InChI is InChI=1S/C26H34F3N5O4S.C20H28BF3N2O3.C12H18ClN3O3S/c1-17(2)39(36,37)32-23-12-20(13-24(31-23)33-8-10-38-11-9-33)22-14-21(5-4-18(22)3)30-25(35)34-7-6-19(16-34)15-26(27,28)29;1-13-6-7-15(10-16(13)21-28-18(2,3)19(4,5)29-21)25-17(27)26-9-8-14(12-26)11-20(22,23)24;1-9(2)20(17,18)15-11-7-10(13)8-12(14-11)16-3-5-19-6-4-16/h4-5,12-14,17,19H,6-11,15-16H2,1-3H3,(H,30,35)(H,31,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-9H,3-6H2,1-2H3,(H,14,15)/t19-;14-;/m00./s1.

What are the key properties of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 1301.72 g/mol, XLogP of 10.67, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)propane-2-sulfonamide;(3S)-N-[4-methyl-3-[2-morpholin-4-yl-6-(propan-2-ylsulfonylamino)-4-pyridinyl]phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide;(3S)-N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 160696255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).