N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide

C11H16F3N5O2S — CID 22444231

IUPACN,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide
SMILESCN(C)S(=O)(=O)C1CNCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O2S/c1-18(2)22(20,21)9-7-15-5-6-19(9)10-16-4-3-8(17-10)11(12,13)14/h3-4,9,15H,5-7H2,1-2H3
InChIKeyUUVFYCUUAZUHOF-UHFFFAOYSA-N
MW339.34 g/mol
LogP0.12
Rot. Bonds3

About N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide

N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide (PubChem CID 22444231) has the molecular formula C11H16F3N5O2S and a molecular weight of 339.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide
PubChem CID22444231
Molecular FormulaC11H16F3N5O2S
Molecular Weight339.34 g/mol
Exact Mass339.10
IUPAC NameN,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide
SMILESCN(C)S(=O)(=O)C1CNCCN1c1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O2S/c1-18(2)22(20,21)9-7-15-5-6-19(9)10-16-4-3-8(17-10)11(12,13)14/h3-4,9,15H,5-7H2,1-2H3
InChIKeyUUVFYCUUAZUHOF-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide (CID 22444231) is N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide is CN(C)S(=O)(=O)C1CNCCN1c1nccc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide?
The InChIKey is UUVFYCUUAZUHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O2S/c1-18(2)22(20,21)9-7-15-5-6-19(9)10-16-4-3-8(17-10)11(12,13)14/h3-4,9,15H,5-7H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide?
N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide has a molecular weight of 339.34 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-2-sulfonamide is sourced from PubChem (CID 22444231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).