7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide

C84H62Br2F6N18O7S5 — CID 158531126

About 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide

7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide (PubChem CID 158531126) has the molecular formula C84H62Br2F6N18O7S5 and a molecular weight of 1869.67 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide.

Molecular Properties

• Compound Name: 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide
• PubChem CID: 158531126
• Molecular Formula: C84H62Br2F6N18O7S5
• Molecular Weight: 1869.67 g/mol
• Exact Mass: 1866.19
• IUPAC Name: 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide
• SMILES: O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1ccc(-c2c[nH]c3ncncc23)s1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1ccc(-c2cn(-c3ccccc3)c3ncncc23)s1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1ccc(Br)s1.O=S(=O)(c1ccccc1)n1cc(Br)c2cncnc21.O=S=O
• InChI: InChI=1S/C30H22F2N6OS.C24H18F2N6OS.C18H14BrF2N3OS.C12H8BrN3O2S.O2S/c31-25-10-8-19(13-26(25)32)14-36-30(39)22-7-4-12-34-28(22)35-15-21-9-11-27(40-21)24-17-38(20-5-2-1-3-6-20)29-23(24)16-33-18-37-29;25-19-5-3-14(8-20(19)26)9-31-24(33)16-2-1-7-28-22(16)29-10-15-4-6-21(34-15)17-12-30-23-18(17)11-27-13-32-23;19-16-6-4-12(26-16)10-23-17-13(2-1-7-22-17)18(25)24-9-11-3-5-14(20)15(21)8-11;13-11-7-16(12-10(11)6-14-8-15-12)19(17,18)9-4-2-1-3-5-9;1-3-2/h1-13,16-18H,14-15H2,(H,34,35)(H,36,39);1-8,11-13H,9-10H2,(H,28,29)(H,31,33)(H,27,30,32);1-8H,9-10H2,(H,22,23)(H,24,25);1-8H
• InChIKey: HNJNXNVEHPAFBQ-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 333.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1869.67
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

The IUPAC name of 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide (CID 158531126) is 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide.

What is the SMILES notation for 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

The canonical SMILES for 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide is O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1ccc(-c2c[nH]c3ncncc23)s1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1ccc(-c2cn(-c3ccccc3)c3ncncc23)s1.O=C(NCc1ccc(F)c(F)c1)c1cccnc1NCc1ccc(Br)s1.O=S(=O)(c1ccccc1)n1cc(Br)c2cncnc21.O=S=O.

What is the InChIKey of 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

The InChIKey is HNJNXNVEHPAFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22F2N6OS.C24H18F2N6OS.C18H14BrF2N3OS.C12H8BrN3O2S.O2S/c31-25-10-8-19(13-26(25)32)14-36-30(39)22-7-4-12-34-28(22)35-15-21-9-11-27(40-21)24-17-38(20-5-2-1-3-6-20)29-23(24)16-33-18-37-29;25-19-5-3-14(8-20(19)26)9-31-24(33)16-2-1-7-28-22(16)29-10-15-4-6-21(34-15)17-12-30-23-18(17)11-27-13-32-23;19-16-6-4-12(26-16)10-23-17-13(2-1-7-22-17)18(25)24-9-11-3-5-14(20)15(21)8-11;13-11-7-16(12-10(11)6-14-8-15-12)19(17,18)9-4-2-1-3-5-9;1-3-2/h1-13,16-18H,14-15H2,(H,34,35)(H,36,39);1-8,11-13H,9-10H2,(H,28,29)(H,31,33)(H,27,30,32);1-8H,9-10H2,(H,22,23)(H,24,25);1-8H;.

What are the key properties of 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide?

7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide has a molecular weight of 1869.67 g/mol, XLogP of 17.75, 23 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(benzenesulfonyl)-5-bromopyrrolo[2,3-d]pyrimidine;2-[(5-bromothiophen-2-yl)methylamino]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-[[5-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;sulfur dioxide is sourced from PubChem (CID 158531126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).