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

C32H26F6N8O4S2 — CID 87949208

IUPAC2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1.Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/2C16H13F3N4O2S/c1-10-6-11(8-21-7-10)15-22-14(16(17,18)19)9-23(15)12-4-2-3-5-13(12)26(20,24)25;1-10-6-7-21-11(8-10)15-22-14(16(17,18)19)9-23(15)12-4-2-3-5-13(12)26(20,24)25/h2*2-9H,1H3,(H2,20,24,25)
InChIKeyFNZSPICZEUQUCN-UHFFFAOYSA-N
MW764.73 g/mol
LogP5.82
Rot. Bonds6

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

2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 87949208) has the molecular formula C32H26F6N8O4S2 and a molecular weight of 764.73 g/mol. Its IUPAC name is 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID87949208
Molecular FormulaC32H26F6N8O4S2
Molecular Weight764.73 g/mol
Exact Mass764.14
IUPAC Name2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1.Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/2C16H13F3N4O2S/c1-10-6-11(8-21-7-10)15-22-14(16(17,18)19)9-23(15)12-4-2-3-5-13(12)26(20,24)25;1-10-6-7-21-11(8-10)15-22-14(16(17,18)19)9-23(15)12-4-2-3-5-13(12)26(20,24)25/h2*2-9H,1H3,(H2,20,24,25)
InChIKeyFNZSPICZEUQUCN-UHFFFAOYSA-N
XLogP5.82
TPSA181.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.73
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 87949208) is 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is Cc1ccnc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1.Cc1cncc(-c2nc(C(F)(F)F)cn2-c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is FNZSPICZEUQUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13F3N4O2S/c1-10-6-11(8-21-7-10)15-22-14(16(17,18)19)9-23(15)12-4-2-3-5-13(12)26(20,24)25;1-10-6-7-21-11(8-10)15-22-14(16(17,18)19)9-23(15)12-4-2-3-5-13(12)26(20,24)25/h2*2-9H,1H3,(H2,20,24,25).
What are the key properties of 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 764.73 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide;2-[2-(5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 87949208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).