N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C71H68BrF9N16O12S4 — CID 161033577

About N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 161033577) has the molecular formula C71H68BrF9N16O12S4 and a molecular weight of 1716.58 g/mol. Its IUPAC name is N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

• Compound Name: N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
• PubChem CID: 161033577
• Molecular Formula: C71H68BrF9N16O12S4
• Molecular Weight: 1716.58 g/mol
• Exact Mass: 1714.31
• IUPAC Name: N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
• SMILES: CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F.CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F.CCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F.O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1F
• InChI: InChI=1S/C18H17BrF2N4O3S.2C18H18F2N4O3S.C17H15F3N4O3S/c1-9(2)8-29(27,28)25-14-4-3-13(20)15(16(14)21)18(26)24-10-5-11-12(19)7-23-17(11)22-6-10;1-10(2)9-28(26,27)24-14-4-3-13(19)15(16(14)20)18(25)23-12-7-11-5-6-21-17(11)22-8-12;1-2-3-8-28(26,27)24-14-5-4-13(19)15(16(14)20)18(25)23-12-9-11-6-7-21-17(11)22-10-12;18-5-1-7-28(26,27)24-13-3-2-12(19)14(15(13)20)17(25)23-11-8-10-4-6-21-16(10)22-9-11/h3-7,9,25H,8H2,1-2H3,(H,22,23)(H,24,26);3-8,10,24H,9H2,1-2H3,(H,21,22)(H,23,25);4-7,9-10,24H,2-3,8H2,1H3,(H,21,22)(H,23,25);2-4,6,8-9,24H,1,5,7H2,(H,21,22)(H,23,25)
• InChIKey: TZYKVPIELAPKRN-UHFFFAOYSA-N
• XLogP: 14.57
• TPSA: 415.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1716.58
LogP ≤ 5	14.57
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The IUPAC name of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 161033577) is N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

What is the SMILES notation for N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The canonical SMILES for N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]cc(Br)c3c2)c1F.CC(C)CS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F.CCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F.O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)CCCF)c1F.

What is the InChIKey of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

The InChIKey is TZYKVPIELAPKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF2N4O3S.2C18H18F2N4O3S.C17H15F3N4O3S/c1-9(2)8-29(27,28)25-14-4-3-13(20)15(16(14)21)18(26)24-10-5-11-12(19)7-23-17(11)22-6-10;1-10(2)9-28(26,27)24-14-4-3-13(19)15(16(14)20)18(25)23-12-7-11-5-6-21-17(11)22-8-12;1-2-3-8-28(26,27)24-14-5-4-13(19)15(16(14)20)18(25)23-12-9-11-6-7-21-17(11)22-10-12;18-5-1-7-28(26,27)24-13-3-2-12(19)14(15(13)20)17(25)23-11-8-10-4-6-21-16(10)22-9-11/h3-7,9,25H,8H2,1-2H3,(H,22,23)(H,24,26);3-8,10,24H,9H2,1-2H3,(H,21,22)(H,23,25);4-7,9-10,24H,2-3,8H2,1H3,(H,21,22)(H,23,25);2-4,6,8-9,24H,1,5,7H2,(H,21,22)(H,23,25).

What are the key properties of N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?

N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 1716.58 g/mol, XLogP of 14.57, 26 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-1H-pyrrolo[2,3-b]pyridin-5-yl)-2,6-difluoro-3-(2-methylpropylsulfonylamino)benzamide;3-(butylsulfonylamino)-2,6-difluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(3-fluoropropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide;2,6-difluoro-3-(2-methylpropylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 161033577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).