1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide

C14H13F3N2O3S — CID 75507166

IUPAC1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1
InChIInChI=1S/C14H13F3N2O3S/c1-9-3-2-4-10(5-9)8-23(21,22)19-12-6-11(14(15,16)17)7-18-13(12)20/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyAMPLOAKVMSBEPI-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide

1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide (PubChem CID 75507166) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide
PubChem CID75507166
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide
SMILESCc1cccc(CS(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1
InChIInChI=1S/C14H13F3N2O3S/c1-9-3-2-4-10(5-9)8-23(21,22)19-12-6-11(14(15,16)17)7-18-13(12)20/h2-7,19H,8H2,1H3,(H,18,20)
InChIKeyAMPLOAKVMSBEPI-UHFFFAOYSA-N
XLogP2.64
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide?
The IUPAC name of 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide (CID 75507166) is 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide?
The canonical SMILES for 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide is Cc1cccc(CS(=O)(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide?
The InChIKey is AMPLOAKVMSBEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-9-3-2-4-10(5-9)8-23(21,22)19-12-6-11(14(15,16)17)7-18-13(12)20/h2-7,19H,8H2,1H3,(H,18,20).
What are the key properties of 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide?
1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide has a molecular weight of 346.33 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 75507166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).