2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide

C15H9F6N3O3S — CID 75396723

IUPAC2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F6N3O3S/c16-14(17,18)8-5-6-9-10(7-8)23-13(22-9)24-28(25,26)12-4-2-1-3-11(12)27-15(19,20)21/h1-7H,(H2,22,23,24)
InChIKeyNJOWRYAZQADFLS-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.28
Rot. Bonds4

About 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide

2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide (PubChem CID 75396723) has the molecular formula C15H9F6N3O3S and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
PubChem CID75396723
Molecular FormulaC15H9F6N3O3S
Molecular Weight425.31 g/mol
Exact Mass425.03
IUPAC Name2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H9F6N3O3S/c16-14(17,18)8-5-6-9-10(7-8)23-13(22-9)24-28(25,26)12-4-2-1-3-11(12)27-15(19,20)21/h1-7H,(H2,22,23,24)
InChIKeyNJOWRYAZQADFLS-UHFFFAOYSA-N
XLogP4.28
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide?
The IUPAC name of 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide (CID 75396723) is 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide?
The InChIKey is NJOWRYAZQADFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O3S/c16-14(17,18)8-5-6-9-10(7-8)23-13(22-9)24-28(25,26)12-4-2-1-3-11(12)27-15(19,20)21/h1-7H,(H2,22,23,24).
What are the key properties of 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide?
2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide has a molecular weight of 425.31 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 75396723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).