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

C9H13ClF3N3O2S — CID 61045589

IUPAC5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H13ClF3N3O2S/c1-6(2)16(4-9(11,12)13)19(17,18)8-7(10)15(3)5-14-8/h5-6H,4H2,1-3H3
InChIKeyVVKCTQYOHWVXKP-UHFFFAOYSA-N
MW319.74 g/mol
LogP2.03
Rot. Bonds4

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

5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 61045589) has the molecular formula C9H13ClF3N3O2S and a molecular weight of 319.74 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID61045589
Molecular FormulaC9H13ClF3N3O2S
Molecular Weight319.74 g/mol
Exact Mass319.04
IUPAC Name5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCC(C)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C9H13ClF3N3O2S/c1-6(2)16(4-9(11,12)13)19(17,18)8-7(10)15(3)5-14-8/h5-6H,4H2,1-3H3
InChIKeyVVKCTQYOHWVXKP-UHFFFAOYSA-N
XLogP2.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 61045589) is 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is CC(C)N(CC(F)(F)F)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is VVKCTQYOHWVXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF3N3O2S/c1-6(2)16(4-9(11,12)13)19(17,18)8-7(10)15(3)5-14-8/h5-6H,4H2,1-3H3.
What are the key properties of 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 319.74 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 61045589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).