4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide

C13H16F3NO3S — CID 146334777

IUPAC4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3S/c1-9(2)6-7-12(18)17-21(19,20)11-5-3-4-10(8-11)13(14,15)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyQYIFNNSUDZRCPO-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.95
Rot. Bonds5

About 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide

4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide (PubChem CID 146334777) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
PubChem CID146334777
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
SMILESCC(C)CCC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3S/c1-9(2)6-7-12(18)17-21(19,20)11-5-3-4-10(8-11)13(14,15)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18)
InChIKeyQYIFNNSUDZRCPO-UHFFFAOYSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide (CID 146334777) is 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide is CC(C)CCC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
The InChIKey is QYIFNNSUDZRCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-9(2)6-7-12(18)17-21(19,20)11-5-3-4-10(8-11)13(14,15)16/h3-5,8-9H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide?
4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide has a molecular weight of 323.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide is sourced from PubChem (CID 146334777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).