4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide

C16H14F4N4O2S — CID 133378652

IUPAC4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C16H14F4N4O2S/c17-9-1-3-12-13(7-9)24-15(23-12)5-6-22-10-2-4-14(27(21,25)26)11(8-10)16(18,19)20/h1-4,7-8,22H,5-6H2,(H,23,24)(H2,21,25,26)
InChIKeyNZLPNNFJHABHGA-UHFFFAOYSA-N
MW402.37 g/mol
LogP3.02
Rot. Bonds5

About 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide

4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 133378652) has the molecular formula C16H14F4N4O2S and a molecular weight of 402.37 g/mol. Its IUPAC name is 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID133378652
Molecular FormulaC16H14F4N4O2S
Molecular Weight402.37 g/mol
Exact Mass402.08
IUPAC Name4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)cc1C(F)(F)F
InChIInChI=1S/C16H14F4N4O2S/c17-9-1-3-12-13(7-9)24-15(23-12)5-6-22-10-2-4-14(27(21,25)26)11(8-10)16(18,19)20/h1-4,7-8,22H,5-6H2,(H,23,24)(H2,21,25,26)
InChIKeyNZLPNNFJHABHGA-UHFFFAOYSA-N
XLogP3.02
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide (CID 133378652) is 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)cc1C(F)(F)F.
What is the InChIKey of 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NZLPNNFJHABHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4N4O2S/c17-9-1-3-12-13(7-9)24-15(23-12)5-6-22-10-2-4-14(27(21,25)26)11(8-10)16(18,19)20/h1-4,7-8,22H,5-6H2,(H,23,24)(H2,21,25,26).
What are the key properties of 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide?
4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 133378652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).