4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

C15H15F3N2O2S — CID 112773266

IUPAC4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-2-3-11-4-7-13(8-5-11)23(21,22)20-14-9-6-12(10-19-14)15(16,17)18/h4-10H,2-3H2,1H3,(H,19,20)
InChIKeyUCSOBYYEPXEZAL-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.85
Rot. Bonds5

About 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide

4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (PubChem CID 112773266) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
PubChem CID112773266
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H15F3N2O2S/c1-2-3-11-4-7-13(8-5-11)23(21,22)20-14-9-6-12(10-19-14)15(16,17)18/h4-10H,2-3H2,1H3,(H,19,20)
InChIKeyUCSOBYYEPXEZAL-UHFFFAOYSA-N
XLogP3.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide (CID 112773266) is 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is UCSOBYYEPXEZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-2-3-11-4-7-13(8-5-11)23(21,22)20-14-9-6-12(10-19-14)15(16,17)18/h4-10H,2-3H2,1H3,(H,19,20).
What are the key properties of 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide?
4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 344.36 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 112773266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).