3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide

C9H12F3N3O2S — CID 47299073

IUPAC3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-3-8(15-6-7)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5H2,(H,14,15)(H2,13,16,17)
InChIKeyXPITYUBIOGKYPU-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.19
Rot. Bonds5

About 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide

3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide (PubChem CID 47299073) has the molecular formula C9H12F3N3O2S and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
PubChem CID47299073
Molecular FormulaC9H12F3N3O2S
Molecular Weight283.27 g/mol
Exact Mass283.06
IUPAC Name3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-3-8(15-6-7)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5H2,(H,14,15)(H2,13,16,17)
InChIKeyXPITYUBIOGKYPU-UHFFFAOYSA-N
XLogP1.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
5-[[5-(trifluoromethyl)-2-pyridinyl]amino]pentanamide
CID 114162427
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine
CID 47083315
2,3,5-trimethyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclohexa-2,5-diene-1,4-dione
CID 67069252
N-(3-phenylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60631694
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 32651025
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
5-tert-butyl-N-(4,4,4-trifluorobutyl)pyridin-2-amine
CID 114011601
1-tert-butyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111063597

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
The IUPAC name of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide (CID 47299073) is 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
The canonical SMILES for 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide is NS(=O)(=O)CCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
The InChIKey is XPITYUBIOGKYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2S/c10-9(11,12)7-2-3-8(15-6-7)14-4-1-5-18(13,16)17/h2-3,6H,1,4-5H2,(H,14,15)(H2,13,16,17).
What are the key properties of 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide?
3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide has a molecular weight of 283.27 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1-sulfonamide is sourced from PubChem (CID 47299073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).