4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C17H13F4N3O3S — CID 10740567

IUPAC4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H13F4N3O3S/c1-27-13-7-10(6-11(18)8-13)16-23-15(17(19,20)21)9-24(16)12-2-4-14(5-3-12)28(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyAVNMYMWVNAHMGX-UHFFFAOYSA-N
MW415.37 g/mol
LogP3.35
Rot. Bonds4

About 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10740567) has the molecular formula C17H13F4N3O3S and a molecular weight of 415.37 g/mol. Its IUPAC name is 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10740567
Molecular FormulaC17H13F4N3O3S
Molecular Weight415.37 g/mol
Exact Mass415.06
IUPAC Name4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCOc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H13F4N3O3S/c1-27-13-7-10(6-11(18)8-13)16-23-15(17(19,20)21)9-24(16)12-2-4-14(5-3-12)28(22,25)26/h2-9H,1H3,(H2,22,25,26)
InChIKeyAVNMYMWVNAHMGX-UHFFFAOYSA-N
XLogP3.35
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cimicoxib
CID 213053
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methyl-2-phenylimidazole
CID 2983776
1h-Imidazole,2-(3-fluoro-4-methoxyphenyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-
CID 10136509
4-[4-Chloro-5-(4-fluoro-3-methoxy-phenyl)-imidazol-1-yl]-benzenesulfonamide
CID 10156700
4-[2-(3-Chloro-4-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10159879
4-Chloro-5-(4-fluoro-3-methoxy-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazole
CID 10177830
4-[4-Chloro-5-(4-ethoxy-3-fluoro-phenyl)-imidazol-1-yl]-benzenesulfonamide
CID 10200745
4-[2-(3-Fluoro-4-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10476930
4-[2-(4-Chloro-3-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10502827
1-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-3,5-dimethyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10598409
4-[2-(3-Bromo-4-methoxy-phenyl)-4-trifluoromethyl-imidazol-1-yl]-benzenesulfonamide
CID 10600662
1-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10739510

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10740567) is 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is COc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is AVNMYMWVNAHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O3S/c1-27-13-7-10(6-11(18)8-13)16-23-15(17(19,20)21)9-24(16)12-2-4-14(5-3-12)28(22,25)26/h2-9H,1H3,(H2,22,25,26).
What are the key properties of 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 415.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-5-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10740567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).