4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide

C6H7ClF3N3O3S — CID 106314301

IUPAC4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C6H7ClF3N3O3S/c1-13-5(4(7)2-11-13)17(14,15)12-16-3-6(8,9)10/h2,12H,3H2,1H3
InChIKeyDGPJQHPIMFUEAL-UHFFFAOYSA-N
MW293.65 g/mol
LogP0.85
Rot. Bonds4

About 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide

4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide (PubChem CID 106314301) has the molecular formula C6H7ClF3N3O3S and a molecular weight of 293.65 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide
PubChem CID106314301
Molecular FormulaC6H7ClF3N3O3S
Molecular Weight293.65 g/mol
Exact Mass292.98
IUPAC Name4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NOCC(F)(F)F
InChIInChI=1S/C6H7ClF3N3O3S/c1-13-5(4(7)2-11-13)17(14,15)12-16-3-6(8,9)10/h2,12H,3H2,1H3
InChIKeyDGPJQHPIMFUEAL-UHFFFAOYSA-N
XLogP0.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.65
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide (CID 106314301) is 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NOCC(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide?
The InChIKey is DGPJQHPIMFUEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF3N3O3S/c1-13-5(4(7)2-11-13)17(14,15)12-16-3-6(8,9)10/h2,12H,3H2,1H3.
What are the key properties of 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide has a molecular weight of 293.65 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-5-sulfonamide is sourced from PubChem (CID 106314301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).