1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide

C11H10F3N3O3S — CID 2821584

IUPAC1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C11H10F3N3O3S/c1-17-6-10(15-7-17)21(18,19)16-8-2-4-9(5-3-8)20-11(12,13)14/h2-7,16H,1H3
InChIKeyPBNXQNCSMIMMEP-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.12
Rot. Bonds4

About 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide

1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide (PubChem CID 2821584) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide
PubChem CID2821584
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC Name1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C11H10F3N3O3S/c1-17-6-10(15-7-17)21(18,19)16-8-2-4-9(5-3-8)20-11(12,13)14/h2-7,16H,1H3
InChIKeyPBNXQNCSMIMMEP-UHFFFAOYSA-N
XLogP2.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide (CID 2821584) is 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide?
The InChIKey is PBNXQNCSMIMMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-17-6-10(15-7-17)21(18,19)16-8-2-4-9(5-3-8)20-11(12,13)14/h2-7,16H,1H3.
What are the key properties of 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide?
1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide has a molecular weight of 321.28 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(trifluoromethoxy)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 2821584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).