N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol

C116H105FN18O11S10 — CID 159596927

About N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol

N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol (PubChem CID 159596927) has the molecular formula C116H105FN18O11S10 and a molecular weight of 2266.90 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol.

Molecular Properties

• Compound Name: N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol
• PubChem CID: 159596927
• Molecular Formula: C116H105FN18O11S10
• Molecular Weight: 2266.90 g/mol
• Exact Mass: 2264.54
• IUPAC Name: N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol
• SMILES: CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1.CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1ccccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.OCc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12
• InChI: InChI=1S/C22H23N3O2S2.C19H18N4O2S2.2C19H17N3O2S2.C19H16N2O2S.C18H14FN3OS/c1-22(2,3)25(4)29(26,27)17-7-5-6-15(12-17)19-13-24-21-20(19)18(8-10-23-21)16-9-11-28-14-16;1-23(2)27(24,25)17-6-4-3-5-15(17)22-16-11-21-19-18(16)14(7-9-20-19)13-8-10-26-12-13;1-22(2)26(23,24)15-5-3-13(4-6-15)17-11-21-19-18(17)16(7-9-20-19)14-8-10-25-12-14;1-22(2)26(23,24)15-5-3-4-13(10-15)17-11-21-19-18(17)16(6-8-20-19)14-7-9-25-12-14;1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12;19-13-1-2-15(12(7-13)9-23)22-16-8-21-18-17(16)14(3-5-20-18)11-4-6-24-10-11/h5-14H,1-4H3,(H,23,24);3-12,22H,1-2H3,(H,20,21);2*3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);1-8,10,22-23H,9H2,(H,20,21)
• InChIKey: MKYWKSGVGSLCEN-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 384.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2266.90
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol?

The IUPAC name of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol (CID 159596927) is N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol.

What is the SMILES notation for N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol?

The canonical SMILES for N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol is CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1.CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1ccccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.OCc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.

What is the InChIKey of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol?

The InChIKey is MKYWKSGVGSLCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S2.C19H18N4O2S2.2C19H17N3O2S2.C19H16N2O2S.C18H14FN3OS/c1-22(2,3)25(4)29(26,27)17-7-5-6-15(12-17)19-13-24-21-20(19)18(8-10-23-21)16-9-11-28-14-16;1-23(2)27(24,25)17-6-4-3-5-15(17)22-16-11-21-19-18(16)14(7-9-20-19)13-8-10-26-12-13;1-22(2)26(23,24)15-5-3-13(4-6-15)17-11-21-19-18(17)16(7-9-20-19)14-8-10-25-12-14;1-22(2)26(23,24)15-5-3-4-13(10-15)17-11-21-19-18(17)16(6-8-20-19)14-7-9-25-12-14;1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12;19-13-1-2-15(12(7-13)9-23)22-16-8-21-18-17(16)14(3-5-20-18)11-4-6-24-10-11/h5-14H,1-4H3,(H,23,24);3-12,22H,1-2H3,(H,20,21);2*3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);1-8,10,22-23H,9H2,(H,20,21).

What are the key properties of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol?

N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol has a molecular weight of 2266.90 g/mol, XLogP of 27.72, 25 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;N,N-dimethyl-4-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol is sourced from PubChem (CID 159596927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).