4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C16H13F3N4O3S — CID 22997894

IUPAC4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C16H13F3N4O3S/c1-26-11-4-7-13(21-8-11)15-22-14(16(17,18)19)9-23(15)10-2-5-12(6-3-10)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeySHCMDDSRTJHONA-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.61
Rot. Bonds4

About 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22997894) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22997894
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)nc1
InChIInChI=1S/C16H13F3N4O3S/c1-26-11-4-7-13(21-8-11)15-22-14(16(17,18)19)9-23(15)10-2-5-12(6-3-10)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeySHCMDDSRTJHONA-UHFFFAOYSA-N
XLogP2.61
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 22997894) is 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)nc1.
What is the InChIKey of 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is SHCMDDSRTJHONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c1-26-11-4-7-13(21-8-11)15-22-14(16(17,18)19)9-23(15)10-2-5-12(6-3-10)27(20,24)25/h2-9H,1H3,(H2,20,24,25).
What are the key properties of 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 398.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22997894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).