4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide

C23H18ClF3N4O4S2 — CID 91426433

About 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide

4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide (PubChem CID 91426433) has the molecular formula C23H18ClF3N4O4S2 and a molecular weight of 571.00 g/mol. Its IUPAC name is 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
• PubChem CID: 91426433
• Molecular Formula: C23H18ClF3N4O4S2
• Molecular Weight: 571.00 g/mol
• Exact Mass: 570.04
• IUPAC Name: 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide
• SMILES: Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)c1
• InChI: InChI=1S/C23H18ClF3N4O4S2/c1-14-21(32)31(17-4-6-18(7-5-17)36-23(25,26)27)22(33)30(14)13-15-10-11-28-20(12-15)29-37(34,35)19-8-2-16(24)3-9-19/h2-12,32H,13H2,1H3,(H,28,29)
• InChIKey: DPXAMAWGXLPROJ-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 106.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	571.00
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?

The IUPAC name of 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide (CID 91426433) is 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?

The canonical SMILES for 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide is Cc1c(O)n(-c2ccc(SC(F)(F)F)cc2)c(=O)n1Cc1ccnc(NS(=O)(=O)c2ccc(Cl)cc2)c1.

What is the InChIKey of 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?

The InChIKey is DPXAMAWGXLPROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4O4S2/c1-14-21(32)31(17-4-6-18(7-5-17)36-23(25,26)27)22(33)30(14)13-15-10-11-28-20(12-15)29-37(34,35)19-8-2-16(24)3-9-19/h2-12,32H,13H2,1H3,(H,28,29).

What are the key properties of 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide?

4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide has a molecular weight of 571.00 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[4-[[4-hydroxy-5-methyl-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 91426433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).