2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide

C20H19F3N2O3S — CID 46396220

IUPAC2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCC(C)c1ccccc1
InChIInChI=1S/C20H19F3N2O3S/c1-13-8-9-16(17-11-19(28-25-17)20(21,22)23)10-18(13)29(26,27)24-12-14(2)15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3
InChIKeyQNUFXWNJNMCOAS-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.75
Rot. Bonds6

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

2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 46396220) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
PubChem CID46396220
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC Name2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCC(C)c1ccccc1
InChIInChI=1S/C20H19F3N2O3S/c1-13-8-9-16(17-11-19(28-25-17)20(21,22)23)10-18(13)29(26,27)24-12-14(2)15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3
InChIKeyQNUFXWNJNMCOAS-UHFFFAOYSA-N
XLogP4.75
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide (CID 46396220) is 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(F)(F)F)on2)cc1S(=O)(=O)NCC(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
The InChIKey is QNUFXWNJNMCOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c1-13-8-9-16(17-11-19(28-25-17)20(21,22)23)10-18(13)29(26,27)24-12-14(2)15-6-4-3-5-7-15/h3-11,14,24H,12H2,1-2H3.
What are the key properties of 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide?
2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 424.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-phenylpropyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 46396220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).