N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C10H16F3N3O3S — CID 107483699

IUPACN-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O3S/c1-7-9(8(2)15(3)14-7)20(18,19)16(4-5-17)6-10(11,12)13/h17H,4-6H2,1-3H3
InChIKeyWZWMVHUSDHPJEB-UHFFFAOYSA-N
MW315.32 g/mol
LogP0.58
Rot. Bonds5

About N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 107483699) has the molecular formula C10H16F3N3O3S and a molecular weight of 315.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID107483699
Molecular FormulaC10H16F3N3O3S
Molecular Weight315.32 g/mol
Exact Mass315.09
IUPAC NameN-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O3S/c1-7-9(8(2)15(3)14-7)20(18,19)16(4-5-17)6-10(11,12)13/h17H,4-6H2,1-3H3
InChIKeyWZWMVHUSDHPJEB-UHFFFAOYSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 107483699) is N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is WZWMVHUSDHPJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O3S/c1-7-9(8(2)15(3)14-7)20(18,19)16(4-5-17)6-10(11,12)13/h17H,4-6H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 315.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 107483699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).