6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C113H93BrClF16N27O14S5 — CID 158131955

About 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 158131955) has the molecular formula C113H93BrClF16N27O14S5 and a molecular weight of 2632.82 g/mol. Its IUPAC name is 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 158131955
• Molecular Formula: C113H93BrClF16N27O14S5
• Molecular Weight: 2632.82 g/mol
• Exact Mass: 2629.46
• IUPAC Name: 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: CC(=O)c1cc2c(cc1F)c(C(C)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ncccn1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(Br)cc3n2-c2ncccn2)nc1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(Cl)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccn1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2CCO)nc1)C(F)(F)F
• InChI: InChI=1S/C25H24FN5O4S.C23H17ClF4N6O2S.C23H18F4N6O2S.C22H18BrFN6O2S.C20H16F6N4O4S/c1-14(32)17-12-21-18(11-19(17)26)22(15(2)33)23(31(21)24-27-9-6-10-28-24)20-8-7-16(13-29-20)36(34,35)30-25(3,4)5;1-3-13-6-20-16(7-18(13)25)17(8-29)21(34(20)22-31-9-14(24)10-32-22)19-5-4-15(11-30-19)37(35,36)33-12(2)23(26,27)28;1-3-14-9-20-16(10-18(14)24)17(11-28)21(33(20)22-29-7-4-8-30-22)19-6-5-15(12-31-19)36(34,35)32-13(2)23(25,26)27;1-22(2,3)29-33(31,32)13-5-6-18(28-12-13)20-15(11-25)14-9-17(24)16(23)10-19(14)30(20)21-26-7-4-8-27-21;1-10(20(24,25)26)29-35(32,33)11-2-3-15(28-9-11)18-13(8-27)12-6-14(21)17(34-19(22)23)7-16(12)30(18)4-5-31/h6-13,30H,1-5H3;4-7,9-12,33H,3H2,1-2H3;4-10,12-13,32H,3H2,1-2H3;4-10,12,29H,1-3H3;2-3,6-7,9-10,19,29,31H,4-5H2,1H3/t;12-;13-;;10-/m.00.0/s1
• InChIKey: FSWRDQYRSNEVOD-OIHSRKKRSA-N
• XLogP: 21.20
• TPSA: 581.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2632.82
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 158131955) is 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-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 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CC(=O)c1cc2c(cc1F)c(C(C)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2-c1ncccn1.CC(C)(C)NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(Br)cc3n2-c2ncccn2)nc1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(Cl)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccn1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(OC(F)F)cc3n2CCO)nc1)C(F)(F)F.

What is the InChIKey of 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is FSWRDQYRSNEVOD-OIHSRKKRSA-N. The full InChI is InChI=1S/C25H24FN5O4S.C23H17ClF4N6O2S.C23H18F4N6O2S.C22H18BrFN6O2S.C20H16F6N4O4S/c1-14(32)17-12-21-18(11-19(17)26)22(15(2)33)23(31(21)24-27-9-6-10-28-24)20-8-7-16(13-29-20)36(34,35)30-25(3,4)5;1-3-13-6-20-16(7-18(13)25)17(8-29)21(34(20)22-31-9-14(24)10-32-22)19-5-4-15(11-30-19)37(35,36)33-12(2)23(26,27)28;1-3-14-9-20-16(10-18(14)24)17(11-28)21(33(20)22-29-7-4-8-30-22)19-6-5-15(12-31-19)36(34,35)32-13(2)23(25,26)27;1-22(2,3)29-33(31,32)13-5-6-18(28-12-13)20-15(11-25)14-9-17(24)16(23)10-19(14)30(20)21-26-7-4-8-27-21;1-10(20(24,25)26)29-35(32,33)11-2-3-15(28-9-11)18-13(8-27)12-6-14(21)17(34-19(22)23)7-16(12)30(18)4-5-31/h6-13,30H,1-5H3;4-7,9-12,33H,3H2,1-2H3;4-10,12-13,32H,3H2,1-2H3;4-10,12,29H,1-3H3;2-3,6-7,9-10,19,29,31H,4-5H2,1H3/t;12-;13-;;10-/m.00.0/s1.

What are the key properties of 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 2632.82 g/mol, XLogP of 21.20, 30 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-bromo-3-cyano-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-tert-butylpyridine-3-sulfonamide;N-tert-butyl-6-(3,6-diacetyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)pyridine-3-sulfonamide;6-[1-(5-chloropyrimidin-2-yl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-(difluoromethoxy)-5-fluoro-1-(2-hydroxyethyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 158131955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).