N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane

C₅₈H₇₈BClF₆N₁₀O₁₀S₃ — CID 158734312

About N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane (PubChem CID 158734312) has the molecular formula C₅₈H₇₈BClF₆N₁₀O₁₀S₃ and a molecular weight of 1331.78 g/mol. Its IUPAC name is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane.

Molecular Properties

• Compound Name: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane
• PubChem CID: 158734312
• Molecular Formula: C₅₈H₇₈BClF₆N₁₀O₁₀S₃
• Molecular Weight: 1331.78 g/mol
• Exact Mass: 1330.48
• IUPAC Name: N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane
• SMILES: Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(NS(=O)(=O)C2CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.O=S(=O)(Nc1cc(Cl)cc(N2CCOCC2)n1)C1CC1.S
• InChI: InChI=1S/C26H32F3N5O4S.C20H28BF3N2O3.C12H16ClN3O3S.H2S/c1-17-2-3-20(30-25(35)34-7-6-18(16-34)15-26(27,28)29)14-22(17)19-12-23(32-39(36,37)21-4-5-21)31-24(13-19)33-8-10-38-11-9-33;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;13-9-7-11(15-20(17,18)10-1-2-10)14-12(8-9)16-3-5-19-6-4-16;/h2-3,12-14,18,21H,4-11,15-16H2,1H3,(H,30,35)(H,31,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,1-6H2,(H,14,15);1H2/t18-;14-;;/m00../s1
• InChIKey: ILMFMXCGTRNGRR-JEIYIZNLSA-N
• XLogP: 10.29
• TPSA: 226.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.78
LogP ≤ 5	10.29
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)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane?

The IUPAC name of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane (CID 158734312) is N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane.

What is the SMILES notation for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane?

The canonical SMILES for N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane is Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1-c1cc(NS(=O)(=O)C2CC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1.O=S(=O)(Nc1cc(Cl)cc(N2CCOCC2)n1)C1CC1.S.

What is the InChIKey of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane?

The InChIKey is ILMFMXCGTRNGRR-JEIYIZNLSA-N. The full InChI is InChI=1S/C26H32F3N5O4S.C20H28BF3N2O3.C12H16ClN3O3S.H2S/c1-17-2-3-20(30-25(35)34-7-6-18(16-34)15-26(27,28)29)14-22(17)19-12-23(32-39(36,37)21-4-5-21)31-24(13-19)33-8-10-38-11-9-33;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;13-9-7-11(15-20(17,18)10-1-2-10)14-12(8-9)16-3-5-19-6-4-16;/h2-3,12-14,18,21H,4-11,15-16H2,1H3,(H,30,35)(H,31,32);6-7,10,14H,8-9,11-12H2,1-5H3,(H,25,27);7-8,10H,1-6H2,(H,14,15);1H2/t18-;14-;;/m00../s1.

What are the key properties of N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane?

N-(4-chloro-6-morpholin-4-yl-2-pyridinyl)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane has a molecular weight of 1331.78 g/mol, XLogP of 10.29, 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)cyclopropanesulfonamide;(3S)-N-[3-[2-(cyclopropylsulfonylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-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;sulfane is sourced from PubChem (CID 158734312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158734312 — identifiers, structure, computed properties (public domain)

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