2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide

C15H23F3N2O2S — CID 70939637

IUPAC2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1c(F)cc(F)cc1F
InChIInChI=1S/C15H23F3N2O2S/c1-15(2,3)23(21,22)20-8-6-4-5-7-19-14-12(17)9-11(16)10-13(14)18/h9-10,19-20H,4-8H2,1-3H3
InChIKeyUZXXFVVDVACCSV-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.40
Rot. Bonds8

About 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide

2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide (PubChem CID 70939637) has the molecular formula C15H23F3N2O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
PubChem CID70939637
Molecular FormulaC15H23F3N2O2S
Molecular Weight352.42 g/mol
Exact Mass352.14
IUPAC Name2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1c(F)cc(F)cc1F
InChIInChI=1S/C15H23F3N2O2S/c1-15(2,3)23(21,22)20-8-6-4-5-7-19-14-12(17)9-11(16)10-13(14)18/h9-10,19-20H,4-8H2,1-3H3
InChIKeyUZXXFVVDVACCSV-UHFFFAOYSA-N
XLogP3.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide?
The IUPAC name of 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide (CID 70939637) is 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide.
What is the SMILES notation for 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide?
The canonical SMILES for 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNc1c(F)cc(F)cc1F.
What is the InChIKey of 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide?
The InChIKey is UZXXFVVDVACCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O2S/c1-15(2,3)23(21,22)20-8-6-4-5-7-19-14-12(17)9-11(16)10-13(14)18/h9-10,19-20H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide?
2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide has a molecular weight of 352.42 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2,4,6-trifluoroanilino)pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70939637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).