4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C16H13F3N4O3S — CID 10524898

IUPAC4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H13F3N4O3S/c1-26-12-6-10(7-21-8-12)15-22-14(16(17,18)19)9-23(15)11-2-4-13(5-3-11)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeyGSKYUPNZVRXGSJ-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.61
Rot. Bonds4

About 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10524898) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10524898
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H13F3N4O3S/c1-26-12-6-10(7-21-8-12)15-22-14(16(17,18)19)9-23(15)11-2-4-13(5-3-11)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeyGSKYUPNZVRXGSJ-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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10524898) is 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is COc1cncc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is GSKYUPNZVRXGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c1-26-12-6-10(7-21-8-12)15-22-14(16(17,18)19)9-23(15)11-2-4-13(5-3-11)27(20,24)25/h2-9H,1H3,(H2,20,24,25).
What are the key properties of 4-[2-(5-methoxy-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(5-methoxy-3-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-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10524898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).