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

C8H12F3N3O2S — CID 60890283

IUPACN,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-5-7(6(2)13-12-5)17(15,16)14(3)4-8(9,10)11/h4H2,1-3H3,(H,12,13)
InChIKeyLDYYNCNUOIYTSD-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.21
Rot. Bonds3

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

N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60890283) has the molecular formula C8H12F3N3O2S and a molecular weight of 271.26 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60890283
Molecular FormulaC8H12F3N3O2S
Molecular Weight271.26 g/mol
Exact Mass271.06
IUPAC NameN,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H12F3N3O2S/c1-5-7(6(2)13-12-5)17(15,16)14(3)4-8(9,10)11/h4H2,1-3H3,(H,12,13)
InChIKeyLDYYNCNUOIYTSD-UHFFFAOYSA-N
XLogP1.21
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60890283) is N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LDYYNCNUOIYTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O2S/c1-5-7(6(2)13-12-5)17(15,16)14(3)4-8(9,10)11/h4H2,1-3H3,(H,12,13).
What are the key properties of N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 271.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60890283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).