ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C19H19F4N3O2S — CID 142958750

IUPACethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCC.Cc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H13F4N3O2S.C2H6/c1-10-6-11(8-12(18)7-10)16-23-15(17(19,20)21)9-24(16)13-2-4-14(5-3-13)27(22,25)26;1-2/h2-9H,1H3,(H2,22,25,26);1-2H3
InChIKeyFALFMKIOGOOEGD-UHFFFAOYSA-N
MW429.44 g/mol
LogP4.68
Rot. Bonds3

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

ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 142958750) has the molecular formula C19H19F4N3O2S and a molecular weight of 429.44 g/mol. Its IUPAC name is ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Nameethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID142958750
Molecular FormulaC19H19F4N3O2S
Molecular Weight429.44 g/mol
Exact Mass429.11
IUPAC Nameethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCC.Cc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H13F4N3O2S.C2H6/c1-10-6-11(8-12(18)7-10)16-23-15(17(19,20)21)9-24(16)13-2-4-14(5-3-13)27(22,25)26;1-2/h2-9H,1H3,(H2,22,25,26);1-2H3
InChIKeyFALFMKIOGOOEGD-UHFFFAOYSA-N
XLogP4.68
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 142958750) is ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is CC.Cc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is FALFMKIOGOOEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4N3O2S.C2H6/c1-10-6-11(8-12(18)7-10)16-23-15(17(19,20)21)9-24(16)13-2-4-14(5-3-13)27(22,25)26;1-2/h2-9H,1H3,(H2,22,25,26);1-2H3.
What are the key properties of ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 429.44 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 142958750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).