butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C80H111ClN20O12S4Si2 — CID 158380656

About butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 158380656) has the molecular formula C80H111ClN20O12S4Si2 and a molecular weight of 1764.79 g/mol. Its IUPAC name is butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 158380656
• Molecular Formula: C80H111ClN20O12S4Si2
• Molecular Weight: 1764.79 g/mol
• Exact Mass: 1762.68
• IUPAC Name: butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: CCCCS(=O)(=O)Cl.CCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21.[C-]#[N+]C=C1CN(C(=O)OC(C)(C)C)C1.[C-]#[N+]C=C1CN(S(=O)(=O)CCC)C1.[C-]#[N+]CC1(n2cc(-c3ccnc4c3ccn4COCC[Si](C)(C)C)cn2)CN(S(=O)(=O)CCC)C1
• InChI: InChI=1S/C24H34N6O3SSi.C18H20N6O2S.C16H22N4OSi.C10H14N2O2.C8H12N2O2S.C4H9ClO2S/c1-6-12-34(31,32)29-17-24(18-29,16-25-2)30-15-20(14-27-30)21-7-9-26-23-22(21)8-10-28(23)19-33-11-13-35(3,4)5;1-2-9-27(25,26)23-12-18(13-23,5-6-19)24-11-14(10-22-24)15-3-7-20-17-16(15)4-8-21-17;1-22(2,3)9-8-21-12-20-7-5-15-14(4-6-17-16(15)20)13-10-18-19-11-13;1-10(2,3)14-9(13)12-6-8(7-12)5-11-4;1-3-4-13(11,12)10-6-8(7-10)5-9-2;1-2-3-4-8(5,6)7/h7-10,14-15H,6,11-13,16-19H2,1,3-5H3;3-4,7-8,10-11H,2,5,9,12-13H2,1H3,(H,20,21);4-7,10-11H,8-9,12H2,1-3H3,(H,18,19);5H,6-7H2,1-3H3;5H,3-4,6-7H2,1H3;2-4H2,1H3
• InChIKey: GVSZYXMFXCLFSE-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 359.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1764.79
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 158380656) is butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CCCCS(=O)(=O)Cl.CCCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ccnc4[nH]ccc34)cn2)C1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)ccnc21.[C-]#[N+]C=C1CN(C(=O)OC(C)(C)C)C1.[C-]#[N+]C=C1CN(S(=O)(=O)CCC)C1.[C-]#[N+]CC1(n2cc(-c3ccnc4c3ccn4COCC[Si](C)(C)C)cn2)CN(S(=O)(=O)CCC)C1.

What is the InChIKey of butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is GVSZYXMFXCLFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3SSi.C18H20N6O2S.C16H22N4OSi.C10H14N2O2.C8H12N2O2S.C4H9ClO2S/c1-6-12-34(31,32)29-17-24(18-29,16-25-2)30-15-20(14-27-30)21-7-9-26-23-22(21)8-10-28(23)19-33-11-13-35(3,4)5;1-2-9-27(25,26)23-12-18(13-23,5-6-19)24-11-14(10-22-24)15-3-7-20-17-16(15)4-8-21-17;1-22(2,3)9-8-21-12-20-7-5-15-14(4-6-17-16(15)20)13-10-18-19-11-13;1-10(2,3)14-9(13)12-6-8(7-12)5-11-4;1-3-4-13(11,12)10-6-8(7-10)5-9-2;1-2-3-4-8(5,6)7/h7-10,14-15H,6,11-13,16-19H2,1,3-5H3;3-4,7-8,10-11H,2,5,9,12-13H2,1H3,(H,20,21);4-7,10-11H,8-9,12H2,1-3H3,(H,18,19);5H,6-7H2,1-3H3;5H,3-4,6-7H2,1H3;2-4H2,1H3.

What are the key properties of butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 1764.79 g/mol, XLogP of 13.95, 29 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for butane-1-sulfonyl chloride;tert-butyl 3-(isocyanomethylidene)azetidine-1-carboxylate;3-(isocyanomethylidene)-1-propylsulfonylazetidine;2-[[4-[1-[3-(isocyanomethyl)-1-propylsulfonylazetidin-3-yl]pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[1-propylsulfonyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;trimethyl-[2-[[4-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158380656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).