N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide

C12H21F2N3O2S — CID 71997673

IUPACN-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C12H21F2N3O2S/c1-5-7-16(8-11(13)14)20(18,19)12-9(3)15-17(6-2)10(12)4/h11H,5-8H2,1-4H3
InChIKeyQCAKIQXOPZKOSX-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.19
Rot. Bonds7

About N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide

N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide (PubChem CID 71997673) has the molecular formula C12H21F2N3O2S and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide
PubChem CID71997673
Molecular FormulaC12H21F2N3O2S
Molecular Weight309.38 g/mol
Exact Mass309.13
IUPAC NameN-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide
SMILESCCCN(CC(F)F)S(=O)(=O)c1c(C)nn(CC)c1C
InChIInChI=1S/C12H21F2N3O2S/c1-5-7-16(8-11(13)14)20(18,19)12-9(3)15-17(6-2)10(12)4/h11H,5-8H2,1-4H3
InChIKeyQCAKIQXOPZKOSX-UHFFFAOYSA-N
XLogP2.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide (CID 71997673) is N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide is CCCN(CC(F)F)S(=O)(=O)c1c(C)nn(CC)c1C.
What is the InChIKey of N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide?
The InChIKey is QCAKIQXOPZKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3O2S/c1-5-7-16(8-11(13)14)20(18,19)12-9(3)15-17(6-2)10(12)4/h11H,5-8H2,1-4H3.
What are the key properties of N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide?
N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide has a molecular weight of 309.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-ethyl-3,5-dimethyl-N-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 71997673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).