4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C67H51Cl3F6N10O9S3 — CID 159901653

About 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 159901653) has the molecular formula C67H51Cl3F6N10O9S3 and a molecular weight of 1456.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 159901653
• Molecular Formula: C67H51Cl3F6N10O9S3
• Molecular Weight: 1456.75 g/mol
• Exact Mass: 1454.20
• IUPAC Name: 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(C)C)c2)c1.Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cc1cnc(C(=O)c2ncnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C24H22ClN3O3S.C22H15ClF3N3O3S.C21H14ClF3N4O3S/c1-14(2)19-12-16(7-8-20(19)25)32(30,31)28-22-11-15(3)13-27-23(22)24(29)18-9-10-26-21-6-4-5-17(18)21;1-12-9-19(29-33(31,32)13-5-6-17(23)16(10-13)22(24,25)26)20(28-11-12)21(30)15-7-8-27-18-4-2-3-14(15)18;1-11-7-17(29-33(31,32)12-5-6-15(22)14(8-12)21(23,24)25)19(26-9-11)20(30)18-13-3-2-4-16(13)27-10-28-18/h4-5,7-14,28H,6H2,1-3H3;2-3,5-11,29H,4H2,1H3;2-3,5-10,29H,4H2,1H3
• InChIKey: NWAOLDPFKFSHEC-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 279.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1456.75
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 159901653) is 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(C)C)c2)c1.Cc1cnc(C(=O)c2ccnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.Cc1cnc(C(=O)c2ncnc3c2C=CC3)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.

What is the InChIKey of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is NWAOLDPFKFSHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S.C22H15ClF3N3O3S.C21H14ClF3N4O3S/c1-14(2)19-12-16(7-8-20(19)25)32(30,31)28-22-11-15(3)13-27-23(22)24(29)18-9-10-26-21-6-4-5-17(18)21;1-12-9-19(29-33(31,32)13-5-6-17(23)16(10-13)22(24,25)26)20(28-11-12)21(30)15-7-8-27-18-4-2-3-14(15)18;1-11-7-17(29-33(31,32)12-5-6-15(22)14(8-12)21(23,24)25)19(26-9-11)20(30)18-13-3-2-4-16(13)27-10-28-18/h4-5,7-14,28H,6H2,1-3H3;2-3,5-11,29H,4H2,1H3;2-3,5-10,29H,4H2,1H3.

What are the key properties of 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1456.75 g/mol, XLogP of 14.67, 16 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-propan-2-ylbenzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[b]pyridine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[2-(7H-cyclopenta[d]pyrimidine-4-carbonyl)-5-methyl-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 159901653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).