N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide

C13H13F3N4O2S — CID 133270380

IUPACN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCNc1ncccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)11-4-2-6-18-12(11)19-7-8-20-23(21,22)10-3-1-5-17-9-10/h1-6,9,20H,7-8H2,(H,18,19)
InChIKeyMLRPGBUQHZXYHB-UHFFFAOYSA-N
MW346.33 g/mol
LogP1.89
Rot. Bonds6

About N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide

N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide (PubChem CID 133270380) has the molecular formula C13H13F3N4O2S and a molecular weight of 346.33 g/mol. Its IUPAC name is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
PubChem CID133270380
Molecular FormulaC13H13F3N4O2S
Molecular Weight346.33 g/mol
Exact Mass346.07
IUPAC NameN-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCNc1ncccc1C(F)(F)F)c1cccnc1
InChIInChI=1S/C13H13F3N4O2S/c14-13(15,16)11-4-2-6-18-12(11)19-7-8-20-23(21,22)10-3-1-5-17-9-10/h1-6,9,20H,7-8H2,(H,18,19)
InChIKeyMLRPGBUQHZXYHB-UHFFFAOYSA-N
XLogP1.89
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 55728944
4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 87032884
N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 29039345
N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 54943560
N-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133421659
N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 23293787
3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 63226841
N-propylpyridine-3-sulfonamide
CID 43258995
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-pent-4-ynyl-3-(trifluoromethyl)pyridin-2-amine
CID 103704435
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
N-[(4-pyridin-3-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133332763

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide (CID 133270380) is N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCNc1ncccc1C(F)(F)F)c1cccnc1.
What is the InChIKey of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is MLRPGBUQHZXYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S/c14-13(15,16)11-4-2-6-18-12(11)19-7-8-20-23(21,22)10-3-1-5-17-9-10/h1-6,9,20H,7-8H2,(H,18,19).
What are the key properties of N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide?
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 346.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 133270380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).