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

C16H13F3N4O3S — CID 22997934

IUPAC4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H13F3N4O3S/c1-26-11-6-7-21-13(8-11)15-22-14(16(17,18)19)9-23(15)10-2-4-12(5-3-10)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeyDPLSPCGTBMFUSI-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.61
Rot. Bonds4

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

4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22997934) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22997934
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C16H13F3N4O3S/c1-26-11-6-7-21-13(8-11)15-22-14(16(17,18)19)9-23(15)10-2-4-12(5-3-10)27(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeyDPLSPCGTBMFUSI-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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Related Compounds

4-[2-(6-Methyl-pyridin-2-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10271231
4-[2-(3-Fluoro-4-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10476930
1-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10739510
4-[2-(3-Fluoro-5-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10740567
2-(3-Fluoro-5-methoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10787918
1-(4-Methanesulfonyl-phenyl)-2-(3-methoxy-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10810738
4-[2-(3,5-Difluoro-4-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10836527
N-ethyl-6-(4-imidazol-1-ylphenoxy)-N-phenylpyridine-3-sulfonamide
CID 2998528
1-(4-Methanesulfonyl-phenyl)-2-(2-methoxy-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10596883
5-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-2-methoxy-pyridine
CID 22148978
4-[2-(5-Methoxy-pyridin-3-yl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10524898
3-[1-(4-Methanesulfonyl-phenyl)-4-trifluoromethyl-1H-imidazol-2-yl]-5-methoxy-pyridine
CID 10786970

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 22997934) is 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is COc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is DPLSPCGTBMFUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c1-26-11-6-7-21-13(8-11)15-22-14(16(17,18)19)9-23(15)10-2-4-12(5-3-10)27(20,24)25/h2-9H,1H3,(H2,20,24,25).
What are the key properties of 4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(4-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-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22997934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).