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

C10H17F2N3O3S — CID 107483494

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H17F2N3O3S/c1-7-10(8(2)14(3)13-7)19(17,18)15(4-5-16)6-9(11)12/h9,16H,4-6H2,1-3H3
InChIKeyOKUUYXBPHQCFOV-UHFFFAOYSA-N
MW297.33 g/mol
LogP0.29
Rot. Bonds6

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

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 107483494) has the molecular formula C10H17F2N3O3S and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID107483494
Molecular FormulaC10H17F2N3O3S
Molecular Weight297.33 g/mol
Exact Mass297.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCO)CC(F)F
InChIInChI=1S/C10H17F2N3O3S/c1-7-10(8(2)14(3)13-7)19(17,18)15(4-5-16)6-9(11)12/h9,16H,4-6H2,1-3H3
InChIKeyOKUUYXBPHQCFOV-UHFFFAOYSA-N
XLogP0.29
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 107483494) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is OKUUYXBPHQCFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O3S/c1-7-10(8(2)14(3)13-7)19(17,18)15(4-5-16)6-9(11)12/h9,16H,4-6H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 297.33 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 107483494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).