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

C9H11ClF3N3O2S — CID 54983810

IUPAC5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c1-15-5-14-8(7(15)10)19(17,18)16(6-2-3-6)4-9(11,12)13/h5-6H,2-4H2,1H3
InChIKeyWSFZQKIPMQNVKC-UHFFFAOYSA-N
MW317.72 g/mol
LogP1.79
Rot. Bonds4

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

5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (PubChem CID 54983810) has the molecular formula C9H11ClF3N3O2S and a molecular weight of 317.72 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
PubChem CID54983810
Molecular FormulaC9H11ClF3N3O2S
Molecular Weight317.72 g/mol
Exact Mass317.02
IUPAC Name5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1Cl
InChIInChI=1S/C9H11ClF3N3O2S/c1-15-5-14-8(7(15)10)19(17,18)16(6-2-3-6)4-9(11,12)13/h5-6H,2-4H2,1H3
InChIKeyWSFZQKIPMQNVKC-UHFFFAOYSA-N
XLogP1.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-cyclopropyl-1-methyl-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

Related Compounds

1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperazine
CID 35287935
5-Chloro-1-methyl-4-pyrrolidin-1-ylsulfonylimidazole
CID 35289039
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-4-propylpiperazine
CID 43415221
1-[(5-Chloro-1-methyl-1H-imidazol-4-yl)sulfonyl]-4-(1-methylethyl)piperazine
CID 43421729
5-chloro-N,1-dimethyl-N-[(2S)-pentan-2-yl]-1H-imidazole-4-sulfonamide
CID 51683231
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 43430604
5-chloro-N-(2-cyanopropyl)-N-ethyl-1-methylimidazole-4-sulfonamide
CID 47298799
(3R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 35303030
(3S)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 35303035
5-chloro-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 43456006
1-(5-Chloro-1-methylimidazol-4-yl)sulfonyl-3-(trifluoromethyl)piperidine
CID 45811048
5-chloro-1-methyl-N-prop-2-ynyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide
CID 45833327

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide (CID 54983810) is 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)N(CC(F)(F)F)C2CC2)c1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
The InChIKey is WSFZQKIPMQNVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2S/c1-15-5-14-8(7(15)10)19(17,18)16(6-2-3-6)4-9(11,12)13/h5-6H,2-4H2,1H3.
What are the key properties of 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide?
5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide has a molecular weight of 317.72 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-1-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 54983810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).