1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide

C14H17F3N4O2S — CID 75396743

IUPAC1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)nc1C
InChIInChI=1S/C14H17F3N4O2S/c1-3-21-8-13(19-10(21)2)24(22,23)20-12-7-5-4-6-11(12)18-9-14(15,16)17/h4-8,18,20H,3,9H2,1-2H3
InChIKeyIHRYUIBHQWIGCZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.99
Rot. Bonds6

About 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide (PubChem CID 75396743) has the molecular formula C14H17F3N4O2S and a molecular weight of 362.38 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
PubChem CID75396743
Molecular FormulaC14H17F3N4O2S
Molecular Weight362.38 g/mol
Exact Mass362.10
IUPAC Name1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)nc1C
InChIInChI=1S/C14H17F3N4O2S/c1-3-21-8-13(19-10(21)2)24(22,23)20-12-7-5-4-6-11(12)18-9-14(15,16)17/h4-8,18,20H,3,9H2,1-2H3
InChIKeyIHRYUIBHQWIGCZ-UHFFFAOYSA-N
XLogP2.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide (CID 75396743) is 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide?
The InChIKey is IHRYUIBHQWIGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2S/c1-3-21-8-13(19-10(21)2)24(22,23)20-12-7-5-4-6-11(12)18-9-14(15,16)17/h4-8,18,20H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide has a molecular weight of 362.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 75396743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).