5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

C7H9ClF3N3O3S — CID 113317200

IUPAC5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)C(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3O3S/c1-14-3-12-6(5(14)8)18(16,17)13-2-4(15)7(9,10)11/h3-4,13,15H,2H2,1H3
InChIKeyXBCNCNXVSDILJB-UHFFFAOYSA-N
MW307.68 g/mol
LogP0.28
Rot. Bonds4

About 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide

5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (PubChem CID 113317200) has the molecular formula C7H9ClF3N3O3S and a molecular weight of 307.68 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
PubChem CID113317200
Molecular FormulaC7H9ClF3N3O3S
Molecular Weight307.68 g/mol
Exact Mass307.00
IUPAC Name5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC(O)C(F)(F)F)c1Cl
InChIInChI=1S/C7H9ClF3N3O3S/c1-14-3-12-6(5(14)8)18(16,17)13-2-4(15)7(9,10)11/h3-4,13,15H,2H2,1H3
InChIKeyXBCNCNXVSDILJB-UHFFFAOYSA-N
XLogP0.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.68
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide (CID 113317200) is 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC(O)C(F)(F)F)c1Cl.
What is the InChIKey of 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
The InChIKey is XBCNCNXVSDILJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF3N3O3S/c1-14-3-12-6(5(14)8)18(16,17)13-2-4(15)7(9,10)11/h3-4,13,15H,2H2,1H3.
What are the key properties of 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide?
5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide has a molecular weight of 307.68 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)imidazole-4-sulfonamide is sourced from PubChem (CID 113317200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).