5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C11H19F3N4O2S — CID 63977746

IUPAC5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H19F3N4O2S/c1-4-8(5-2)18(6-11(12,13)14)21(19,20)10-9(15)16-7-17(10)3/h7-8H,4-6,15H2,1-3H3
InChIKeyWKDLGIVVOQIYNH-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.74
Rot. Bonds6

About 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 63977746) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID63977746
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC Name5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCCC(CC)N(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C
InChIInChI=1S/C11H19F3N4O2S/c1-4-8(5-2)18(6-11(12,13)14)21(19,20)10-9(15)16-7-17(10)3/h7-8H,4-6,15H2,1-3H3
InChIKeyWKDLGIVVOQIYNH-UHFFFAOYSA-N
XLogP1.74
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 63977746) is 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CCC(CC)N(CC(F)(F)F)S(=O)(=O)c1c(N)ncn1C.
What is the InChIKey of 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is WKDLGIVVOQIYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-4-8(5-2)18(6-11(12,13)14)21(19,20)10-9(15)16-7-17(10)3/h7-8H,4-6,15H2,1-3H3.
What are the key properties of 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 328.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63977746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).