4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide

C14H14F3N3O2S — CID 2537673

IUPAC4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)11-3-6-13(20-9-11)19-8-7-10-1-4-12(5-2-10)23(18,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,18,21,22)
InChIKeyCDFXSTWWPBTFMF-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.40
Rot. Bonds5

About 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide

4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide (PubChem CID 2537673) has the molecular formula C14H14F3N3O2S and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
PubChem CID2537673
Molecular FormulaC14H14F3N3O2S
Molecular Weight345.35 g/mol
Exact Mass345.08
IUPAC Name4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C14H14F3N3O2S/c15-14(16,17)11-3-6-13(20-9-11)19-8-7-10-1-4-12(5-2-10)23(18,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,18,21,22)
InChIKeyCDFXSTWWPBTFMF-UHFFFAOYSA-N
XLogP2.40
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide (CID 2537673) is 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
The InChIKey is CDFXSTWWPBTFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2S/c15-14(16,17)11-3-6-13(20-9-11)19-8-7-10-1-4-12(5-2-10)23(18,21)22/h1-6,9H,7-8H2,(H,19,20)(H2,18,21,22).
What are the key properties of 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide?
4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide has a molecular weight of 345.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 2537673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).