N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide

C11H18F3N3O2S — CID 75388252

IUPACN-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
SMILESCCN(CCC(F)(F)F)S(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C11H18F3N3O2S/c1-4-17(6-5-11(12,13)14)20(18,19)10-7-16(8-15-10)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyLALBOJVVFGDBGB-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.43
Rot. Bonds6

About N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide

N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide (PubChem CID 75388252) has the molecular formula C11H18F3N3O2S and a molecular weight of 313.35 g/mol. Its IUPAC name is N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
PubChem CID75388252
Molecular FormulaC11H18F3N3O2S
Molecular Weight313.35 g/mol
Exact Mass313.11
IUPAC NameN-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
SMILESCCN(CCC(F)(F)F)S(=O)(=O)c1cn(C(C)C)cn1
InChIInChI=1S/C11H18F3N3O2S/c1-4-17(6-5-11(12,13)14)20(18,19)10-7-16(8-15-10)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyLALBOJVVFGDBGB-UHFFFAOYSA-N
XLogP2.43
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The IUPAC name of N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide (CID 75388252) is N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The canonical SMILES for N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide is CCN(CCC(F)(F)F)S(=O)(=O)c1cn(C(C)C)cn1.
What is the InChIKey of N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The InChIKey is LALBOJVVFGDBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2S/c1-4-17(6-5-11(12,13)14)20(18,19)10-7-16(8-15-10)9(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide has a molecular weight of 313.35 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propan-2-yl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 75388252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).