N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

C13H13F3N4O2S — CID 2820254

IUPACN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C13H13F3N4O2S/c1-8-18-6-9(12(17)20-8)7-19-23(21,22)11-5-3-2-4-10(11)13(14,15)16/h2-6,19H,7H2,1H3,(H2,17,18,20)
InChIKeyPZUWEOJUJCWDIX-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.86
Rot. Bonds4

About N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 2820254) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID2820254
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCc1ncc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C13H13F3N4O2S/c1-8-18-6-9(12(17)20-8)7-19-23(21,22)11-5-3-2-4-10(11)13(14,15)16/h2-6,19H,7H2,1H3,(H2,17,18,20)
InChIKeyPZUWEOJUJCWDIX-UHFFFAOYSA-N
XLogP1.86
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 2820254) is N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide is Cc1ncc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c(N)n1.
What is the InChIKey of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PZUWEOJUJCWDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c1-8-18-6-9(12(17)20-8)7-19-23(21,22)11-5-3-2-4-10(11)13(14,15)16/h2-6,19H,7H2,1H3,(H2,17,18,20).
What are the key properties of N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2820254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).