4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C15H10BrF3N4O2S — CID 10671076

IUPAC4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(Br)c2)cc1
InChIInChI=1S/C15H10BrF3N4O2S/c16-10-5-9(6-21-7-10)14-22-13(15(17,18)19)8-23(14)11-1-3-12(4-2-11)26(20,24)25/h1-8H,(H2,20,24,25)
InChIKeyGAJUPZYRMFPEFR-UHFFFAOYSA-N
MW447.24 g/mol
LogP3.36
Rot. Bonds3

About 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 10671076) has the molecular formula C15H10BrF3N4O2S and a molecular weight of 447.24 g/mol. Its IUPAC name is 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID10671076
Molecular FormulaC15H10BrF3N4O2S
Molecular Weight447.24 g/mol
Exact Mass445.97
IUPAC Name4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(Br)c2)cc1
InChIInChI=1S/C15H10BrF3N4O2S/c16-10-5-9(6-21-7-10)14-22-13(15(17,18)19)8-23(14)11-1-3-12(4-2-11)26(20,24)25/h1-8H,(H2,20,24,25)
InChIKeyGAJUPZYRMFPEFR-UHFFFAOYSA-N
XLogP3.36
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 10671076) is 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cncc(Br)c2)cc1.
What is the InChIKey of 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is GAJUPZYRMFPEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N4O2S/c16-10-5-9(6-21-7-10)14-22-13(15(17,18)19)8-23(14)11-1-3-12(4-2-11)26(20,24)25/h1-8H,(H2,20,24,25).
What are the key properties of 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 447.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10671076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).