N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide

C14H22F3N3O2S — CID 59231340

IUPACN-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3O2S/c1-11(2)23(21,22)20-9-5-3-4-8-18-13-7-6-12(10-19-13)14(15,16)17/h6-7,10-11,20H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyMAGCHVMYVICRRQ-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.01
Rot. Bonds9

About N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide

N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide (PubChem CID 59231340) has the molecular formula C14H22F3N3O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide
PubChem CID59231340
Molecular FormulaC14H22F3N3O2S
Molecular Weight353.41 g/mol
Exact Mass353.14
IUPAC NameN-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H22F3N3O2S/c1-11(2)23(21,22)20-9-5-3-4-8-18-13-7-6-12(10-19-13)14(15,16)17/h6-7,10-11,20H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyMAGCHVMYVICRRQ-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide (CID 59231340) is N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?
The InChIKey is MAGCHVMYVICRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2S/c1-11(2)23(21,22)20-9-5-3-4-8-18-13-7-6-12(10-19-13)14(15,16)17/h6-7,10-11,20H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide?
N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide has a molecular weight of 353.41 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 59231340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).