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

C11H10F3N3O2S — CID 142958900

IUPAC4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H10F3N3O2S/c1-7-16-10(11(12,13)14)6-17(7)8-2-4-9(5-3-8)20(15,18)19/h2-6H,1H3,(H2,15,18,19)
InChIKeyJONJBTAHEDVTFJ-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.85
Rot. Bonds2

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

4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 142958900) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID142958900
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H10F3N3O2S/c1-7-16-10(11(12,13)14)6-17(7)8-2-4-9(5-3-8)20(15,18)19/h2-6H,1H3,(H2,15,18,19)
InChIKeyJONJBTAHEDVTFJ-UHFFFAOYSA-N
XLogP1.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-[2-(4-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142982508
2-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)imidazole
CID 67818870
4-[2-(5-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10691290
ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958750
4-[2-(3-chloro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22643554
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22998040
4-[2-(4-chloro-3-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10621806
4-[2-(4-methoxy-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22997934
3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
CID 18673561
4-[2-(4-chloro-3-methoxyphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 10502827
4-[2-(6-methylheptan-3-yl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 143009184
4-[2-quinolin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22997978

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 142958900) is 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is Cc1nc(C(F)(F)F)cn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is JONJBTAHEDVTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-7-16-10(11(12,13)14)6-17(7)8-2-4-9(5-3-8)20(15,18)19/h2-6H,1H3,(H2,15,18,19).
What are the key properties of 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 142958900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).