N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide

C9H15F2N3O3S — CID 115409002

IUPACN-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H15F2N3O3S/c1-6-9(7(2)14(13-6)3-4-15)18(16,17)12-5-8(10)11/h8,12,15H,3-5H2,1-2H3
InChIKeyYBNLGIOOGRFMFY-UHFFFAOYSA-N
MW283.30 g/mol
LogP0.04
Rot. Bonds6

About N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide

N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 115409002) has the molecular formula C9H15F2N3O3S and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID115409002
Molecular FormulaC9H15F2N3O3S
Molecular Weight283.30 g/mol
Exact Mass283.08
IUPAC NameN-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H15F2N3O3S/c1-6-9(7(2)14(13-6)3-4-15)18(16,17)12-5-8(10)11/h8,12,15H,3-5H2,1-2H3
InChIKeyYBNLGIOOGRFMFY-UHFFFAOYSA-N
XLogP0.04
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-1-[3-(ethylamino)propyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 115409299
1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
CID 106002480
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
CID 79359859
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106000415
1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551680
1-(2-aminoethyl)-N-(3-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106050761
ethyl (2R)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylamino]-2-methylpropanoate
CID 96997249
3-[4-(3-hydroxybutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanoic acid
CID 64927715
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19582943

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 115409002) is N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(CCO)c(C)c1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is YBNLGIOOGRFMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O3S/c1-6-9(7(2)14(13-6)3-4-15)18(16,17)12-5-8(10)11/h8,12,15H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 283.30 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 115409002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).