7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide

C104H116BBrClF4N21O14S10 — CID 158130933

About 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide

7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide (PubChem CID 158130933) has the molecular formula C104H116BBrClF4N21O14S10 and a molecular weight of 2407.04 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide.

Molecular Properties

• Compound Name: 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide
• PubChem CID: 158130933
• Molecular Formula: C104H116BBrClF4N21O14S10
• Molecular Weight: 2407.04 g/mol
• Exact Mass: 2403.51
• IUPAC Name: 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide
• SMILES: CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(-c2ncnc3[nH]ccc23)s1.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(-c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)s1.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(B2OC(C)(C)C(C)(C)O2)s1.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(Br)s1.O=S(=O)(c1ccccc1)n1ccc2c(Cl)ncnc21
• InChI: InChI=1S/C29H29FN6O4S3.C23H33BFN3O4S2.C23H25FN6O2S2.C17H21BrFN3O2S2.C12H8ClN3O2S/c1-29(2,3)28-33-25(20-12-9-13-22(23(20)30)34-43(39,40)35-15-7-8-16-35)26(41-28)24-21-14-17-36(27(21)32-18-31-24)42(37,38)19-10-5-4-6-11-19;1-21(2,3)20-26-18(19(33-20)24-31-22(4,5)23(6,7)32-24)15-11-10-12-16(17(15)25)27-34(29,30)28-13-8-9-14-28;1-23(2,3)22-28-19(20(33-22)18-15-9-10-25-21(15)27-13-26-18)14-7-6-8-16(17(14)24)29-34(31,32)30-11-4-5-12-30;1-17(2,3)16-20-14(15(18)25-16)11-7-6-8-12(13(11)19)21-26(23,24)22-9-4-5-10-22;13-11-10-6-7-16(12(10)15-8-14-11)19(17,18)9-4-2-1-3-5-9/h4-6,9-14,17-18,34H,7-8,15-16H2,1-3H3;10-12,27H,8-9,13-14H2,1-7H3;6-10,13,29H,4-5,11-12H2,1-3H3,(H,25,26,27);6-8,21H,4-5,9-10H2,1-3H3;1-8H
• InChIKey: FSTMZMKVEVTCIV-UHFFFAOYSA-N
• XLogP: 21.97
• TPSA: 438.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2407.04
LogP ≤ 5	21.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide?

The IUPAC name of 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide (CID 158130933) is 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide.

What is the SMILES notation for 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide?

The canonical SMILES for 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide is CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(-c2ncnc3[nH]ccc23)s1.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(-c2ncnc3c2ccn3S(=O)(=O)c2ccccc2)s1.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(B2OC(C)(C)C(C)(C)O2)s1.CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)N3CCCC3)c2F)c(Br)s1.O=S(=O)(c1ccccc1)n1ccc2c(Cl)ncnc21.

What is the InChIKey of 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide?

The InChIKey is FSTMZMKVEVTCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN6O4S3.C23H33BFN3O4S2.C23H25FN6O2S2.C17H21BrFN3O2S2.C12H8ClN3O2S/c1-29(2,3)28-33-25(20-12-9-13-22(23(20)30)34-43(39,40)35-15-7-8-16-35)26(41-28)24-21-14-17-36(27(21)32-18-31-24)42(37,38)19-10-5-4-6-11-19;1-21(2,3)20-26-18(19(33-20)24-31-22(4,5)23(6,7)32-24)15-11-10-12-16(17(15)25)27-34(29,30)28-13-8-9-14-28;1-23(2,3)22-28-19(20(33-22)18-15-9-10-25-21(15)27-13-26-18)14-7-6-8-16(17(14)24)29-34(31,32)30-11-4-5-12-30;1-17(2,3)16-20-14(15(18)25-16)11-7-6-8-12(13(11)19)21-26(23,24)22-9-4-5-10-22;13-11-10-6-7-16(12(10)15-8-14-11)19(17,18)9-4-2-1-3-5-9/h4-6,9-14,17-18,34H,7-8,15-16H2,1-3H3;10-12,27H,8-9,13-14H2,1-7H3;6-10,13,29H,4-5,11-12H2,1-3H3,(H,25,26,27);6-8,21H,4-5,9-10H2,1-3H3;1-8H.

What are the key properties of 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide?

7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide has a molecular weight of 2407.04 g/mol, XLogP of 21.97, 23 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;N-[3-[5-[7-(benzenesulfonyl)pyrrolo[2,3-d]pyrimidin-4-yl]-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-(5-bromo-2-tert-butyl-1,3-thiazol-4-yl)-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide;N-[3-[2-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 158130933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).