4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide

C15H13F3N4O3S — CID 25025828

IUPAC4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
SMILESCc1cc(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C15H13F3N4O3S/c1-9-6-11(21-25-9)7-22-8-13(15(16,17)18)20-14(22)10-2-4-12(5-3-10)26(19,23)24/h2-6,8H,7H2,1H3,(H2,19,23,24)
InChIKeyMEMAYRMANHMOLA-UHFFFAOYSA-N
MW386.36 g/mol
LogP2.56
Rot. Bonds4

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

4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide (PubChem CID 25025828) has the molecular formula C15H13F3N4O3S and a molecular weight of 386.36 g/mol. Its IUPAC name is 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
PubChem CID25025828
Molecular FormulaC15H13F3N4O3S
Molecular Weight386.36 g/mol
Exact Mass386.07
IUPAC Name4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide
SMILESCc1cc(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C15H13F3N4O3S/c1-9-6-11(21-25-9)7-22-8-13(15(16,17)18)20-14(22)10-2-4-12(5-3-10)26(19,23)24/h2-6,8H,7H2,1H3,(H2,19,23,24)
InChIKeyMEMAYRMANHMOLA-UHFFFAOYSA-N
XLogP2.56
TPSA104.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide (CID 25025828) is 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide is Cc1cc(Cn2cc(C(F)(F)F)nc2-c2ccc(S(N)(=O)=O)cc2)no1.
What is the InChIKey of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
The InChIKey is MEMAYRMANHMOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O3S/c1-9-6-11(21-25-9)7-22-8-13(15(16,17)18)20-14(22)10-2-4-12(5-3-10)26(19,23)24/h2-6,8H,7H2,1H3,(H2,19,23,24).
What are the key properties of 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide?
4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide has a molecular weight of 386.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 25025828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).