benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate

C107H184Cl4N14O19SSi6Sn — CID 160701074

IUPACbenzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(C)OC(=O)n1ccc(OC[Si](C)(C)C(C)(C)C)n1.CC(C)(C)[Si](C)(C)CO.CC(C)(C)[Si](C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)[Si](C)(C)COc1ccn[nH]1.CCCC[Sn](CCCC)(CCCC)CO[Si](C)(C)C(C)(C)C.CCOC(=O)c1ccc(-n2ccc(OC[Si](C)(C)C(C)(C)C)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26ClN3O3Si.C16H22ClN3O3Si.C15H28N2O3Si.C10H20N2OSi.C8H7Cl2NO2.C8H12N2O3.C7H18OSi.C7H17OSi.C6H7NO2S.3C4H9.Sn/c1-7-24-17(23)13-8-9-14(20-16(13)19)22-11-10-15(21-22)25-12-26(5,6)18(2,3)4;1-16(2,3)24(4,5)10-23-13-8-9-20(19-13)12-7-6-11(15(21)22)14(17)18-12;1-14(2,3)20-13(18)17-10-9-12(16-17)19-11-21(7,8)15(4,5)6;1-10(2,3)14(4,5)8-13-9-6-7-11-12-9;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-7(2,3)9(4,5)6-8;1-7(2,3)9(5,6)8-4;7-10(8,9)6-4-2-1-3-5-6;3*1-3-4-2;/h8-11H,7,12H2,1-6H3;6-9H,10H2,1-5H3,(H,21,22);9-10H,11H2,1-8H3;6-7H,8H2,1-5H3,(H,11,12);3-4H,2H2,1H3;4-5H,1-3H3,(H,9,11);8H,6H2,1-5H3;4H2,1-3,5-6H3;1-5H,(H2,7,8,9);3*1,3-4H2,2H3;
InChIKeyRQPUSWHYCMPHSR-UHFFFAOYSA-N
MW2431.83 g/mol
LogP28.78
Rot. Bonds33

About benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate

benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate (PubChem CID 160701074) has the molecular formula C107H184Cl4N14O19SSi6Sn and a molecular weight of 2431.83 g/mol. Its IUPAC name is benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Namebenzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
PubChem CID160701074
Molecular FormulaC107H184Cl4N14O19SSi6Sn
Molecular Weight2431.83 g/mol
Exact Mass2429.00
IUPAC Namebenzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(C)OC(=O)n1ccc(OC[Si](C)(C)C(C)(C)C)n1.CC(C)(C)[Si](C)(C)CO.CC(C)(C)[Si](C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)[Si](C)(C)COc1ccn[nH]1.CCCC[Sn](CCCC)(CCCC)CO[Si](C)(C)C(C)(C)C.CCOC(=O)c1ccc(-n2ccc(OC[Si](C)(C)C(C)(C)C)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H26ClN3O3Si.C16H22ClN3O3Si.C15H28N2O3Si.C10H20N2OSi.C8H7Cl2NO2.C8H12N2O3.C7H18OSi.C7H17OSi.C6H7NO2S.3C4H9.Sn/c1-7-24-17(23)13-8-9-14(20-16(13)19)22-11-10-15(21-22)25-12-26(5,6)18(2,3)4;1-16(2,3)24(4,5)10-23-13-8-9-20(19-13)12-7-6-11(15(21)22)14(17)18-12;1-14(2,3)20-13(18)17-10-9-12(16-17)19-11-21(7,8)15(4,5)6;1-10(2,3)14(4,5)8-13-9-6-7-11-12-9;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-7(2,3)9(4,5)6-8;1-7(2,3)9(5,6)8-4;7-10(8,9)6-4-2-1-3-5-6;3*1-3-4-2;/h8-11H,7,12H2,1-6H3;6-9H,10H2,1-5H3,(H,21,22);9-10H,11H2,1-8H3;6-7H,8H2,1-5H3,(H,11,12);3-4H,2H2,1H3;4-5H,1-3H3,(H,9,11);8H,6H2,1-5H3;4H2,1-3,5-6H3;1-5H,(H2,7,8,9);3*1,3-4H2,2H3;
InChIKeyRQPUSWHYCMPHSR-UHFFFAOYSA-N
XLogP28.78
TPSA427.64 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.83
LogP ≤ 528.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate?
The IUPAC name of benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate (CID 160701074) is benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate?
The canonical SMILES for benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate is CC(C)(C)OC(=O)n1ccc(=O)[nH]1.CC(C)(C)OC(=O)n1ccc(OC[Si](C)(C)C(C)(C)C)n1.CC(C)(C)[Si](C)(C)CO.CC(C)(C)[Si](C)(C)COc1ccn(-c2ccc(C(=O)O)c(Cl)n2)n1.CC(C)(C)[Si](C)(C)COc1ccn[nH]1.CCCC[Sn](CCCC)(CCCC)CO[Si](C)(C)C(C)(C)C.CCOC(=O)c1ccc(-n2ccc(OC[Si](C)(C)C(C)(C)C)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.NS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate?
The InChIKey is RQPUSWHYCMPHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3Si.C16H22ClN3O3Si.C15H28N2O3Si.C10H20N2OSi.C8H7Cl2NO2.C8H12N2O3.C7H18OSi.C7H17OSi.C6H7NO2S.3C4H9.Sn/c1-7-24-17(23)13-8-9-14(20-16(13)19)22-11-10-15(21-22)25-12-26(5,6)18(2,3)4;1-16(2,3)24(4,5)10-23-13-8-9-20(19-13)12-7-6-11(15(21)22)14(17)18-12;1-14(2,3)20-13(18)17-10-9-12(16-17)19-11-21(7,8)15(4,5)6;1-10(2,3)14(4,5)8-13-9-6-7-11-12-9;1-2-13-8(12)5-3-4-6(9)11-7(5)10;1-8(2,3)13-7(12)10-5-4-6(11)9-10;1-7(2,3)9(4,5)6-8;1-7(2,3)9(5,6)8-4;7-10(8,9)6-4-2-1-3-5-6;3*1-3-4-2;/h8-11H,7,12H2,1-6H3;6-9H,10H2,1-5H3,(H,21,22);9-10H,11H2,1-8H3;6-7H,8H2,1-5H3,(H,11,12);3-4H,2H2,1H3;4-5H,1-3H3,(H,9,11);8H,6H2,1-5H3;4H2,1-3,5-6H3;1-5H,(H2,7,8,9);3*1,3-4H2,2H3;.
What are the key properties of benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate?
benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate has a molecular weight of 2431.83 g/mol, XLogP of 28.78, 33 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;tert-butyl 3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazole-1-carboxylate;tert-butyl-dimethyl-(1H-pyrazol-5-yloxymethyl)silane;[tert-butyl(dimethyl)silyl]methanol;6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid;tert-butyl-dimethyl-(tributylstannylmethoxy)silane;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;ethyl 6-[3-[[tert-butyl(dimethyl)silyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 160701074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).