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

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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).