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)phenyl]-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

C79H52Cl8F3N17O12S4 — CID 158060619

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)phenyl]-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)phenyl]-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 158060619) has the molecular formula C79H52Cl8F3N17O12S4 and a molecular weight of 1900.28 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)phenyl]-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)phenyl]-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: 158060619
• Molecular Formula: C79H52Cl8F3N17O12S4
• Molecular Weight: 1900.28 g/mol
• Exact Mass: 1895.03
• 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)phenyl]-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(c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)c1ncnc2[nH]ccc12
• InChI: InChI=1S/C20H11Cl2F3N4O3S.2C20H14Cl2N4O3S.C19H13Cl2N5O3S/c21-10-1-3-12(18(30)17-13-5-6-26-19(13)28-9-27-17)16(7-10)29-33(31,32)11-2-4-15(22)14(8-11)20(23,24)25;1-11-6-17(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;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/h1-9,29H,(H,26,27,28);2-10,24,26H,1H3;2-10,26H,1H3,(H,24,25,27);2-9,26H,1H3,(H,22,24,25)
• InChIKey: FKPBNQSXJHTILK-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 432.13 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1900.28
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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)phenyl]-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)phenyl]-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 158060619) 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)phenyl]-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)phenyl]-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)phenyl]-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(c1ccc(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)phenyl]-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 FKPBNQSXJHTILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F3N4O3S.2C20H14Cl2N4O3S.C19H13Cl2N5O3S/c21-10-1-3-12(18(30)17-13-5-6-26-19(13)28-9-27-17)16(7-10)29-33(31,32)11-2-4-15(22)14(8-11)20(23,24)25;1-11-6-17(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;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/h1-9,29H,(H,26,27,28);2-10,24,26H,1H3;2-10,26H,1H3,(H,24,25,27);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)phenyl]-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)phenyl]-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 1900.28 g/mol, XLogP of 18.32, 19 rotatable bonds, 8 hydrogen bond donors, and 21 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)phenyl]-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 158060619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).