N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C9H15F2N3O3S — CID 104858782

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C9H15F2N3O3S/c1-6-8(7(2)14(3)13-6)18(16,17)12-4-9(10,11)5-15/h12,15H,4-5H2,1-3H3
InChIKeyZTERYOSHAUDABS-UHFFFAOYSA-N
MW283.30 g/mol
LogP-0.06
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 104858782) has the molecular formula C9H15F2N3O3S and a molecular weight of 283.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID104858782
Molecular FormulaC9H15F2N3O3S
Molecular Weight283.30 g/mol
Exact Mass283.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C9H15F2N3O3S/c1-6-8(7(2)14(3)13-6)18(16,17)12-4-9(10,11)5-15/h12,15H,4-5H2,1-3H3
InChIKeyZTERYOSHAUDABS-UHFFFAOYSA-N
XLogP-0.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 104858782) is N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is ZTERYOSHAUDABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3O3S/c1-6-8(7(2)14(3)13-6)18(16,17)12-4-9(10,11)5-15/h12,15H,4-5H2,1-3H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 283.30 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 104858782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).