4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C19H16Cl2F3N7O2S — CID 143610129

About 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 143610129) has the molecular formula C19H16Cl2F3N7O2S and a molecular weight of 534.35 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 143610129
• Molecular Formula: C19H16Cl2F3N7O2S
• Molecular Weight: 534.35 g/mol
• Exact Mass: 533.04
• IUPAC Name: 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: Cc1nnc(C2C(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)=CC(Cl)=CN2C)n1-c1ccn[nH]1
• InChI: InChI=1S/C19H16Cl2F3N7O2S/c1-10-26-28-18(31(10)16-5-6-25-27-16)17-15(7-11(20)9-30(17)2)29-34(32,33)12-3-4-14(21)13(8-12)19(22,23)24/h3-9,17,29H,1-2H3,(H,25,27)
• InChIKey: OHBWMQQXGBQAFV-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 108.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.35
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 143610129) is 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is Cc1nnc(C2C(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)=CC(Cl)=CN2C)n1-c1ccn[nH]1.

What is the InChIKey of 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is OHBWMQQXGBQAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2F3N7O2S/c1-10-26-28-18(31(10)16-5-6-25-27-16)17-15(7-11(20)9-30(17)2)29-34(32,33)12-3-4-14(21)13(8-12)19(22,23)24/h3-9,17,29H,1-2H3,(H,25,27).

What are the key properties of 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 534.35 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-chloro-1-methyl-2-[5-methyl-4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-2H-pyridin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 143610129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).