N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

C141H148F12N26O12S6 — CID 158185901

About N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide

N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (PubChem CID 158185901) has the molecular formula C141H148F12N26O12S6 and a molecular weight of 2819.28 g/mol. Its IUPAC name is N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• PubChem CID: 158185901
• Molecular Formula: C141H148F12N26O12S6
• Molecular Weight: 2819.28 g/mol
• Exact Mass: 2816.99
• IUPAC Name: N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide
• SMILES: CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2C1CCC1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cc3)n(C3CCCC3)c2c1
• InChI: InChI=1S/C24H23F3N4O2S.C24H25F3N4O2S.C24H28N4O2S.C23H22F3N5O2S.C23H23F3N4O2S.C23H27N5O2S/c1-2-15-12-19-20(13-28)21(31(17-4-3-5-17)22(19)29-14-15)16-6-8-18(9-7-16)34(32,33)30-23(10-11-23)24(25,26)27;1-4-15-12-19-20(13-28)21(31(17-6-5-7-17)22(19)29-14-15)16-8-10-18(11-9-16)34(32,33)30-23(2,3)24(25,26)27;1-5-16-13-20-21(14-25)22(28(18-7-6-8-18)23(20)26-15-16)17-9-11-19(12-10-17)31(29,30)27-24(2,3)4;1-2-14-10-17-18(11-27)20(31(15-4-3-5-15)21(17)29-12-14)19-7-6-16(13-28-19)34(32,33)30-22(8-9-22)23(24,25)26;1-14-11-20-21(28-13-14)19(12-27)22(30(20)17-5-3-4-6-17)16-7-9-18(10-8-16)33(31,32)29-15(2)23(24,25)26;1-5-15-11-18-19(12-24)21(28(16-7-6-8-16)22(18)26-13-15)20-10-9-17(14-25-20)31(29,30)27-23(2,3)4/h6-9,12,14,17,30H,2-5,10-11H2,1H3;8-12,14,17,30H,4-7H2,1-3H3;9-13,15,18,27H,5-8H2,1-4H3;6-7,10,12-13,15,30H,2-5,8-9H2,1H3;7-11,13,15,17,29H,3-6H2,1-2H3;9-11,13-14,16,27H,5-8H2,1-4H3/t;;;;15-;/m....1./s1
• InChIKey: FZDAUGDWAWHOBI-XCQWXCOUSA-N
• XLogP: 29.85
• TPSA: 552.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 33
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2819.28
LogP ≤ 5	29.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The IUPAC name of N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide (CID 158185901) is N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide.

What is the SMILES notation for N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The canonical SMILES for N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.CCc1cnc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn1)n2C1CCC1.Cc1cnc2c(C#N)c(-c3ccc(S(=O)(=O)N[C@H](C)C(F)(F)F)cc3)n(C3CCCC3)c2c1.

What is the InChIKey of N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

The InChIKey is FZDAUGDWAWHOBI-XCQWXCOUSA-N. The full InChI is InChI=1S/C24H23F3N4O2S.C24H25F3N4O2S.C24H28N4O2S.C23H22F3N5O2S.C23H23F3N4O2S.C23H27N5O2S/c1-2-15-12-19-20(13-28)21(31(17-4-3-5-17)22(19)29-14-15)16-6-8-18(9-7-16)34(32,33)30-23(10-11-23)24(25,26)27;1-4-15-12-19-20(13-28)21(31(17-6-5-7-17)22(19)29-14-15)16-8-10-18(11-9-16)34(32,33)30-23(2,3)24(25,26)27;1-5-16-13-20-21(14-25)22(28(18-7-6-8-18)23(20)26-15-16)17-9-11-19(12-10-17)31(29,30)27-24(2,3)4;1-2-14-10-17-18(11-27)20(31(15-4-3-5-15)21(17)29-12-14)19-7-6-16(13-28-19)34(32,33)30-22(8-9-22)23(24,25)26;1-14-11-20-21(28-13-14)19(12-27)22(30(20)17-5-3-4-6-17)16-7-9-18(10-8-16)33(31,32)29-15(2)23(24,25)26;1-5-15-11-18-19(12-24)21(28(16-7-6-8-16)22(18)26-13-15)20-10-9-17(14-25-20)31(29,30)27-23(2,3)4/h6-9,12,14,17,30H,2-5,10-11H2,1H3;8-12,14,17,30H,4-7H2,1-3H3;9-13,15,18,27H,5-8H2,1-4H3;6-7,10,12-13,15,30H,2-5,8-9H2,1H3;7-11,13,15,17,29H,3-6H2,1-2H3;9-11,13-14,16,27H,5-8H2,1-4H3/t;;;;15-;/m....1./s1.

What are the key properties of N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide?

N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide has a molecular weight of 2819.28 g/mol, XLogP of 29.85, 33 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)benzenesulfonamide;N-tert-butyl-6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide;6-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-sulfonamide;4-(3-cyano-1-cyclobutyl-5-ethylpyrrolo[2,3-b]pyridin-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)benzenesulfonamide;4-(3-cyano-1-cyclopentyl-6-methylpyrrolo[3,2-b]pyridin-2-yl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 158185901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).