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

C16H13F3N4O2S — CID 54029186

IUPAC4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
SMILESCc1ncccc1-c1nc(-c2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C16H13F3N4O2S/c1-9-12(3-2-8-21-9)15-22-13(14(23-15)16(17,18)19)10-4-6-11(7-5-10)26(20,24)25/h2-8H,1H3,(H,22,23)(H2,20,24,25)
InChIKeyLEJDJWZPPNSXRG-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.11
Rot. Bonds3

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

4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide (PubChem CID 54029186) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
PubChem CID54029186
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
SMILESCc1ncccc1-c1nc(-c2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)[nH]1
InChIInChI=1S/C16H13F3N4O2S/c1-9-12(3-2-8-21-9)15-22-13(14(23-15)16(17,18)19)10-4-6-11(7-5-10)26(20,24)25/h2-8H,1H3,(H,22,23)(H2,20,24,25)
InChIKeyLEJDJWZPPNSXRG-UHFFFAOYSA-N
XLogP3.11
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide (CID 54029186) is 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide is Cc1ncccc1-c1nc(-c2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)[nH]1.
What is the InChIKey of 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
The InChIKey is LEJDJWZPPNSXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-9-12(3-2-8-21-9)15-22-13(14(23-15)16(17,18)19)10-4-6-11(7-5-10)26(20,24)25/h2-8H,1H3,(H,22,23)(H2,20,24,25).
What are the key properties of 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide?
4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide has a molecular weight of 382.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 54029186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).