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

C6H7ClF3N3O2S — CID 43456006

IUPAC5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(F)(F)F)c1Cl
InChIInChI=1S/C6H7ClF3N3O2S/c1-13-3-11-5(4(13)7)16(14,15)12-2-6(8,9)10/h3,12H,2H2,1H3
InChIKeyPDDNJPHMFLBNGX-UHFFFAOYSA-N
MW277.66 g/mol
LogP0.91
Rot. Bonds3

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

5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 43456006) has the molecular formula C6H7ClF3N3O2S and a molecular weight of 277.66 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID43456006
Molecular FormulaC6H7ClF3N3O2S
Molecular Weight277.66 g/mol
Exact Mass276.99
IUPAC Name5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(F)(F)F)c1Cl
InChIInChI=1S/C6H7ClF3N3O2S/c1-13-3-11-5(4(13)7)16(14,15)12-2-6(8,9)10/h3,12H,2H2,1H3
InChIKeyPDDNJPHMFLBNGX-UHFFFAOYSA-N
XLogP0.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.66
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 43456006) is 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is PDDNJPHMFLBNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3O2S/c1-13-3-11-5(4(13)7)16(14,15)12-2-6(8,9)10/h3,12H,2H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 277.66 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 43456006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).