2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C133H122F20N32O12S6 — CID 159404455

About 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159404455) has the molecular formula C133H122F20N32O12S6 and a molecular weight of 2933.01 g/mol. Its IUPAC name is 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159404455
• Molecular Formula: C133H122F20N32O12S6
• Molecular Weight: 2933.01 g/mol
• Exact Mass: 2930.79
• IUPAC Name: 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: CC(C)(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)ccc3n2-c2ncccn2)nc1)C(F)(F)F.CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(F)ccc3n2C2CCCC2)nc1.CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3ccc(CC(F)F)cc3n2C2CCCC2)nc1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)ccc3n2-c2ncccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1cnc(-c2c(C#N)c3ccc(CC(F)F)cc3n2C2CCCC2)nc1)C(F)(F)F.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(CC(F)F)ccc12
• InChI: InChI=1S/C23H22F5N5O2S.C23H23F4N5O2S.C23H25F2N5O2S.C22H16F4N6O2S.C21H14F4N6O2S.C21H22FN5O2S/c1-13(23(26,27)28)32-36(34,35)16-11-30-22(31-12-16)21-18(10-29)17-7-6-14(9-20(24)25)8-19(17)33(21)15-4-2-3-5-15;24-9-15(10-25)31-35(33,34)17-12-29-23(30-13-17)22-19(11-28)18-6-5-14(8-21(26)27)7-20(18)32(22)16-3-1-2-4-16;1-14(2)29-33(31,32)17-12-27-23(28-13-17)22-19(11-26)18-8-7-15(10-21(24)25)9-20(18)30(22)16-5-3-4-6-16;1-21(2,22(24,25)26)31-35(33,34)14-5-6-17(30-12-14)19-16(11-27)15-10-13(23)4-7-18(15)32(19)20-28-8-3-9-29-20;1-12(21(23,24)25)30-34(32,33)14-4-5-17(29-11-14)19-16(10-26)15-9-13(22)3-6-18(15)31(19)20-27-7-2-8-28-20;1-13(2)26-30(28,29)16-11-24-21(25-12-16)20-18(10-23)17-9-14(22)7-8-19(17)27(20)15-5-3-4-6-15/h6-8,11-13,15,20,32H,2-5,9H2,1H3;5-7,12-13,15-16,21,31H,1-4,8-10H2;7-9,12-14,16,21,29H,3-6,10H2,1-2H3;3-10,12,31H,1-2H3;2-9,11-12,30H,1H3;7-9,11-13,15,26H,3-6H2,1-2H3/t13-;;;;12-;/m0...0./s1
• InChIKey: LNTSPSIGYJKHSB-HRPSYZMASA-N
• XLogP: 25.93
• TPSA: 629.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2933.01
LogP ≤ 5	25.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159404455) is 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CC(C)(NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)ccc3n2-c2ncccn2)nc1)C(F)(F)F.CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3cc(F)ccc3n2C2CCCC2)nc1.CC(C)NS(=O)(=O)c1cnc(-c2c(C#N)c3ccc(CC(F)F)cc3n2C2CCCC2)nc1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)ccc3n2-c2ncccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1cnc(-c2c(C#N)c3ccc(CC(F)F)cc3n2C2CCCC2)nc1)C(F)(F)F.N#Cc1c(-c2ncc(S(=O)(=O)NC(CF)CF)cn2)n(C2CCCC2)c2cc(CC(F)F)ccc12.

What is the InChIKey of 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is LNTSPSIGYJKHSB-HRPSYZMASA-N. The full InChI is InChI=1S/C23H22F5N5O2S.C23H23F4N5O2S.C23H25F2N5O2S.C22H16F4N6O2S.C21H14F4N6O2S.C21H22FN5O2S/c1-13(23(26,27)28)32-36(34,35)16-11-30-22(31-12-16)21-18(10-29)17-7-6-14(9-20(24)25)8-19(17)33(21)15-4-2-3-5-15;24-9-15(10-25)31-35(33,34)17-12-29-23(30-13-17)22-19(11-28)18-6-5-14(8-21(26)27)7-20(18)32(22)16-3-1-2-4-16;1-14(2)29-33(31,32)17-12-27-23(28-13-17)22-19(11-26)18-8-7-15(10-21(24)25)9-20(18)30(22)16-5-3-4-6-16;1-21(2,22(24,25)26)31-35(33,34)14-5-6-17(30-12-14)19-16(11-27)15-10-13(23)4-7-18(15)32(19)20-28-8-3-9-29-20;1-12(21(23,24)25)30-34(32,33)14-4-5-17(29-11-14)19-16(10-26)15-9-13(22)3-6-18(15)31(19)20-27-7-2-8-28-20;1-13(2)26-30(28,29)16-11-24-21(25-12-16)20-18(10-23)17-9-14(22)7-8-19(17)27(20)15-5-3-4-6-15/h6-8,11-13,15,20,32H,2-5,9H2,1H3;5-7,12-13,15-16,21,31H,1-4,8-10H2;7-9,12-14,16,21,29H,3-6,10H2,1-2H3;3-10,12,31H,1-2H3;2-9,11-12,30H,1H3;7-9,11-13,15,26H,3-6H2,1-2H3/t13-;;;;12-;/m0...0./s1.

What are the key properties of 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2933.01 g/mol, XLogP of 25.93, 38 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-(1,3-difluoropropan-2-yl)pyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-propan-2-ylpyrimidine-5-sulfonamide;2-[3-cyano-1-cyclopentyl-6-(2,2-difluoroethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;2-(3-cyano-1-cyclopentyl-5-fluoroindol-2-yl)-N-propan-2-ylpyrimidine-5-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-3-sulfonamide;6-(3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159404455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).