N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide

C10H10F3N5O2S — CID 131940823

IUPACN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nc(CNS(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C10H10F3N5O2S/c1-6-2-8(10(11,12)13)18-9(17-6)5-16-21(19,20)7-3-14-15-4-7/h2-4,16H,5H2,1H3,(H,14,15)
InChIKeyFOSKOJABIBRNDO-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.01
Rot. Bonds4

About N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide

N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 131940823) has the molecular formula C10H10F3N5O2S and a molecular weight of 321.28 g/mol. Its IUPAC name is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID131940823
Molecular FormulaC10H10F3N5O2S
Molecular Weight321.28 g/mol
Exact Mass321.05
IUPAC NameN-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cc(C(F)(F)F)nc(CNS(=O)(=O)c2cn[nH]c2)n1
InChIInChI=1S/C10H10F3N5O2S/c1-6-2-8(10(11,12)13)18-9(17-6)5-16-21(19,20)7-3-14-15-4-7/h2-4,16H,5H2,1H3,(H,14,15)
InChIKeyFOSKOJABIBRNDO-UHFFFAOYSA-N
XLogP1.01
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 131940823) is N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide is Cc1cc(C(F)(F)F)nc(CNS(=O)(=O)c2cn[nH]c2)n1.
What is the InChIKey of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FOSKOJABIBRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2S/c1-6-2-8(10(11,12)13)18-9(17-6)5-16-21(19,20)7-3-14-15-4-7/h2-4,16H,5H2,1H3,(H,14,15).
What are the key properties of N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 321.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 131940823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).