[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate

C105H128BCl6N23O26S4 — CID 159234276

About [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate

[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate (PubChem CID 159234276) has the molecular formula C105H128BCl6N23O26S4 and a molecular weight of 2480.11 g/mol. Its IUPAC name is [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate.

Molecular Properties

• Compound Name: [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate
• PubChem CID: 159234276
• Molecular Formula: C105H128BCl6N23O26S4
• Molecular Weight: 2480.11 g/mol
• Exact Mass: 2475.65
• IUPAC Name: [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate
• SMILES: C.C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1.Cc1ccc(-c2nc(N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3ccn(S(=O)(=O)c4ccccc4)c3n2)o1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)o1.Clc1nc(Cl)c2cc[nH]c2n1.NNc1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1.O.O=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(Cl)nc21.[H]/N=N/[H].[H][H]
• InChI: InChI=1S/C32H39N5O9S.C27H34ClN5O8S.C12H7Cl2N3O2S.C12H10ClN5O2S.C11H17BO3.C6H3Cl2N3.C4H8O.CH4.H2N2.H2O.H2/c1-20-16-17-23(43-20)24-33-25-22(18-19-35(25)47(41,42)21-14-12-11-13-15-21)26(34-24)36(27(38)44-30(2,3)4)37(28(39)45-31(5,6)7)29(40)46-32(8,9)10;1-25(2,3)39-22(34)32(33(23(35)40-26(4,5)6)24(36)41-27(7,8)9)20-18-15-16-31(19(18)29-21(28)30-20)42(37,38)17-13-11-10-12-14-17;13-10-9-6-7-17(11(9)16-12(14)15-10)20(18,19)8-4-2-1-3-5-8;13-12-15-10(17-14)9-6-7-18(11(9)16-12)21(19,20)8-4-2-1-3-5-8;1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12;7-4-3-1-2-9-5(3)11-6(8)10-4;1-2-4-5-3-1;;1-2;;/h11-19H,1-10H3;10-16H,1-9H3;1-7H;1-7H,14H2,(H,15,16,17);6-7H,1-5H3;1-2H,(H,9,10,11);1-4H2;1H4;1-2H;1H2;1H/b;;;;;;;;2-1+
• InChIKey: NPLJQYIXNIZDHM-XCSGFWFLSA-N
• XLogP: 23.40
• TPSA: 642.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 13
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2480.11
LogP ≤ 5	23.40
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate?

The IUPAC name of [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate (CID 159234276) is [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate.

What is the SMILES notation for [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate?

The canonical SMILES for [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate is C.C1CCOC1.CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)c1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1.Cc1ccc(-c2nc(N(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c3ccn(S(=O)(=O)c4ccccc4)c3n2)o1.Cc1ccc(B2OC(C)(C)C(C)(C)O2)o1.Clc1nc(Cl)c2cc[nH]c2n1.NNc1nc(Cl)nc2c1ccn2S(=O)(=O)c1ccccc1.O.O=S(=O)(c1ccccc1)n1ccc2c(Cl)nc(Cl)nc21.[H]/N=N/[H].[H][H].

What is the InChIKey of [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate?

The InChIKey is NPLJQYIXNIZDHM-XCSGFWFLSA-N. The full InChI is InChI=1S/C32H39N5O9S.C27H34ClN5O8S.C12H7Cl2N3O2S.C12H10ClN5O2S.C11H17BO3.C6H3Cl2N3.C4H8O.CH4.H2N2.H2O.H2/c1-20-16-17-23(43-20)24-33-25-22(18-19-35(25)47(41,42)21-14-12-11-13-15-21)26(34-24)36(27(38)44-30(2,3)4)37(28(39)45-31(5,6)7)29(40)46-32(8,9)10;1-25(2,3)39-22(34)32(33(23(35)40-26(4,5)6)24(36)41-27(7,8)9)20-18-15-16-31(19(18)29-21(28)30-20)42(37,38)17-13-11-10-12-14-17;13-10-9-6-7-17(11(9)16-12(14)15-10)20(18,19)8-4-2-1-3-5-8;13-12-15-10(17-14)9-6-7-18(11(9)16-12)21(19,20)8-4-2-1-3-5-8;1-8-6-7-9(13-8)12-14-10(2,3)11(4,5)15-12;7-4-3-1-2-9-5(3)11-6(8)10-4;1-2-4-5-3-1;;1-2;;/h11-19H,1-10H3;10-16H,1-9H3;1-7H;1-7H,14H2,(H,15,16,17);6-7H,1-5H3;1-2H,(H,9,10,11);1-4H2;1H4;1-2H;1H2;1H/b;;;;;;;;2-1+;;.

What are the key properties of [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate?

[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate has a molecular weight of 2480.11 g/mol, XLogP of 23.40, 13 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]hydrazine;7-(benzenesulfonyl)-2,4-dichloropyrrolo[2,3-d]pyrimidine;tert-butyl N-[7-(benzenesulfonyl)-2-chloropyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;tert-butyl N-[7-(benzenesulfonyl)-2-(5-methylfuran-2-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-N-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]carbamate;diazene;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;methane;molecular hydrogen;oxolane;4,4,5,5-tetramethyl-2-(5-methylfuran-2-yl)-1,3,2-dioxaborolane;hydrate is sourced from PubChem (CID 159234276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).