4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C18H24F3N3O2S — CID 143009184

IUPAC4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCCC(CCC(C)C)c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24F3N3O2S/c1-4-13(6-5-12(2)3)17-23-16(18(19,20)21)11-24(17)14-7-9-15(10-8-14)27(22,25)26/h7-13H,4-6H2,1-3H3,(H2,22,25,26)
InChIKeyHBEANRRIYJKYIL-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.47
Rot. Bonds7

About 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 143009184) has the molecular formula C18H24F3N3O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID143009184
Molecular FormulaC18H24F3N3O2S
Molecular Weight403.47 g/mol
Exact Mass403.15
IUPAC Name4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCCC(CCC(C)C)c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H24F3N3O2S/c1-4-13(6-5-12(2)3)17-23-16(18(19,20)21)11-24(17)14-7-9-15(10-8-14)27(22,25)26/h7-13H,4-6H2,1-3H3,(H2,22,25,26)
InChIKeyHBEANRRIYJKYIL-UHFFFAOYSA-N
XLogP4.47
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 143009184) is 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is CCC(CCC(C)C)c1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is HBEANRRIYJKYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2S/c1-4-13(6-5-12(2)3)17-23-16(18(19,20)21)11-24(17)14-7-9-15(10-8-14)27(22,25)26/h7-13H,4-6H2,1-3H3,(H2,22,25,26).
What are the key properties of 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 403.47 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 143009184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).