5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

C11H15ClF3N3O2S — CID 61042565

IUPAC5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-7(8-3-4-8)18(5-11(13,14)15)21(19,20)10-9(12)17(2)6-16-10/h6-8H,3-5H2,1-2H3
InChIKeyZIDHLKTYXQOTLU-UHFFFAOYSA-N
MW345.77 g/mol
LogP2.42
Rot. Bonds5

About 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide

5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 61042565) has the molecular formula C11H15ClF3N3O2S and a molecular weight of 345.77 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID61042565
Molecular FormulaC11H15ClF3N3O2S
Molecular Weight345.77 g/mol
Exact Mass345.05
IUPAC Name5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C11H15ClF3N3O2S/c1-7(8-3-4-8)18(5-11(13,14)15)21(19,20)10-9(12)17(2)6-16-10/h6-8H,3-5H2,1-2H3
InChIKeyZIDHLKTYXQOTLU-UHFFFAOYSA-N
XLogP2.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.77
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-chloro-1-methyl-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
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5-chloro-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
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5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
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5-chloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 61042565) is 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is ZIDHLKTYXQOTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3O2S/c1-7(8-3-4-8)18(5-11(13,14)15)21(19,20)10-9(12)17(2)6-16-10/h6-8H,3-5H2,1-2H3.
What are the key properties of 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 345.77 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 61042565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).