4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide

C54H42Cl2F10N18O8S4 — CID 158534736

About 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide

4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide (PubChem CID 158534736) has the molecular formula C54H42Cl2F10N18O8S4 and a molecular weight of 1460.20 g/mol. Its IUPAC name is 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide
• PubChem CID: 158534736
• Molecular Formula: C54H42Cl2F10N18O8S4
• Molecular Weight: 1460.20 g/mol
• Exact Mass: 1458.15
• IUPAC Name: 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide
• SMILES: Cc1cc(C)n2cc(CNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)nc2c1.Cc1cc(C)n2nc(CNS(=O)(=O)c3ccc(Cl)cc3)nc2n1.O=S(=O)(NCc1nc2ncccn2n1)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(NCc1nc2ncccn2n1)c1ccc(Cl)cc1
• InChI: InChI=1S/C16H12F5N3O2S.C14H14ClN5O2S.C12H10ClN5O2S.C12H6F5N5O2S/c1-7-3-8(2)24-6-9(23-10(24)4-7)5-22-27(25,26)16-14(20)12(18)11(17)13(19)15(16)21;1-9-7-10(2)20-14(17-9)18-13(19-20)8-16-23(21,22)12-5-3-11(15)4-6-12;13-9-2-4-10(5-3-9)21(19,20)15-8-11-16-12-14-6-1-7-18(12)17-11;13-6-7(14)9(16)11(10(17)8(6)15)25(23,24)19-4-5-20-12-18-2-1-3-22(12)21-5/h3-4,6,22H,5H2,1-2H3;3-7,16H,8H2,1-2H3;1-7,15H,8H2;1-3,19H,4H2
• InChIKey: HNUNIQDHFQIQDS-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 331.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1460.20
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide (CID 158534736) is 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide is Cc1cc(C)n2cc(CNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)nc2c1.Cc1cc(C)n2nc(CNS(=O)(=O)c3ccc(Cl)cc3)nc2n1.O=S(=O)(NCc1nc2ncccn2n1)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)(NCc1nc2ncccn2n1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide?

The InChIKey is HNUNIQDHFQIQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O2S.C14H14ClN5O2S.C12H10ClN5O2S.C12H6F5N5O2S/c1-7-3-8(2)24-6-9(23-10(24)4-7)5-22-27(25,26)16-14(20)12(18)11(17)13(19)15(16)21;1-9-7-10(2)20-14(17-9)18-13(19-20)8-16-23(21,22)12-5-3-11(15)4-6-12;13-9-2-4-10(5-3-9)21(19,20)15-8-11-16-12-14-6-1-7-18(12)17-11;13-6-7(14)9(16)11(10(17)8(6)15)25(23,24)19-4-5-20-12-18-2-1-3-22(12)21-5/h3-4,6,22H,5H2,1-2H3;3-7,16H,8H2,1-2H3;1-7,15H,8H2;1-3,19H,4H2.

What are the key properties of 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide?

4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide has a molecular weight of 1460.20 g/mol, XLogP of 7.55, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzenesulfonamide;4-chloro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide;N-[(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;2,3,4,5,6-pentafluoro-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 158534736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).