4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide

C78H51Cl8F3N18O12S4 — CID 161480908

About 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide

4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 161480908) has the molecular formula C78H51Cl8F3N18O12S4 and a molecular weight of 1901.27 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide
• PubChem CID: 161480908
• Molecular Formula: C78H51Cl8F3N18O12S4
• Molecular Weight: 1901.27 g/mol
• Exact Mass: 1896.03
• IUPAC Name: 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide
• SMILES: Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2-c2nc(=O)[nH]c3ccccc23)ccc1Cl.Cc1cnc(C(=O)c2cncc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2[nH]ccc12
• InChI: InChI=1S/2C20H14Cl2N4O3S.C19H10Cl2F3N5O3S.C19H13Cl2N5O3S/c1-11-6-17(26-30(28,29)12-2-3-15(21)16(22)7-12)19(25-8-11)20(27)14-9-23-10-18-13(14)4-5-24-18;1-11-8-13(6-7-15(11)22)30(28,29)26-17-9-12(21)10-23-19(17)18-14-4-2-3-5-16(14)24-20(27)25-18;20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)15-11-3-4-25-18(11)28-8-27-15;1-10-6-15(26-30(28,29)11-2-3-13(20)14(21)7-11)17(23-8-10)18(27)16-12-4-5-22-19(12)25-9-24-16/h2-10,24,26H,1H3;2-10,26H,1H3,(H,24,25,27);1-8,29H,(H,25,27,28);2-9,26H,1H3,(H,22,24,25)
• InChIKey: WEIMFMKWHWRYCP-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 445.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.27
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide (CID 161480908) is 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(Cl)cnc2-c2nc(=O)[nH]c3ccccc23)ccc1Cl.Cc1cnc(C(=O)c2cncc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.O=C(c1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2[nH]ccc12.

What is the InChIKey of 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide?

The InChIKey is WEIMFMKWHWRYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14Cl2N4O3S.C19H10Cl2F3N5O3S.C19H13Cl2N5O3S/c1-11-6-17(26-30(28,29)12-2-3-15(21)16(22)7-12)19(25-8-11)20(27)14-9-23-10-18-13(14)4-5-24-18;1-11-8-13(6-7-15(11)22)30(28,29)26-17-9-12(21)10-23-19(17)18-14-4-2-3-5-16(14)24-20(27)25-18;20-9-5-14(29-33(31,32)10-1-2-13(21)12(6-10)19(22,23)24)16(26-7-9)17(30)15-11-3-4-25-18(11)28-8-27-15;1-10-6-15(26-30(28,29)11-2-3-13(20)14(21)7-11)17(23-8-10)18(27)16-12-4-5-22-19(12)25-9-24-16/h2-10,24,26H,1H3;2-10,26H,1H3,(H,24,25,27);1-8,29H,(H,25,27,28);2-9,26H,1H3,(H,22,24,25).

What are the key properties of 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide?

4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 1901.27 g/mol, XLogP of 17.72, 19 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-2-(2-oxo-1H-quinazolin-4-yl)-3-pyridinyl]-3-methylbenzenesulfonamide;4-chloro-N-[5-chloro-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(1H-pyrrolo[2,3-c]pyridine-4-carbonyl)-3-pyridinyl]benzenesulfonamide;3,4-dichloro-N-[5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 161480908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).