5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide

C7H9ClF3N3O2S — CID 63226847

IUPAC5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCC(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3O2S/c1-14-4-12-6(5(14)8)17(15,16)13-3-2-7(9,10)11/h4,13H,2-3H2,1H3
InChIKeyBVQKQCIQMPCTGR-UHFFFAOYSA-N
MW291.68 g/mol
LogP1.30
Rot. Bonds4

About 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide (PubChem CID 63226847) has the molecular formula C7H9ClF3N3O2S and a molecular weight of 291.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
PubChem CID63226847
Molecular FormulaC7H9ClF3N3O2S
Molecular Weight291.68 g/mol
Exact Mass291.01
IUPAC Name5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCCC(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3O2S/c1-14-4-12-6(5(14)8)17(15,16)13-3-2-7(9,10)11/h4,13H,2-3H2,1H3
InChIKeyBVQKQCIQMPCTGR-UHFFFAOYSA-N
XLogP1.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 51.30
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-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide (CID 63226847) is 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCCC(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
The InChIKey is BVQKQCIQMPCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3N3O2S/c1-14-4-12-6(5(14)8)17(15,16)13-3-2-7(9,10)11/h4,13H,2-3H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide has a molecular weight of 291.68 g/mol, XLogP of 1.30, 4 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-(3,3,3-trifluoropropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 63226847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).