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

C20H19F3N2O3S — CID 30232596

IUPACN-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(C)c1CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3S/c1-14-19(15(2)28-24-14)13-25(12-16-7-4-3-5-8-16)29(26,27)18-10-6-9-17(11-18)20(21,22)23/h3-11H,12-13H2,1-2H3
InChIKeyKCMXLLQUIVONAB-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.70
Rot. Bonds6

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

N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 30232596) has the molecular formula C20H19F3N2O3S and a molecular weight of 424.44 g/mol. Its IUPAC name is N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID30232596
Molecular FormulaC20H19F3N2O3S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC NameN-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1noc(C)c1CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H19F3N2O3S/c1-14-19(15(2)28-24-14)13-25(12-16-7-4-3-5-8-16)29(26,27)18-10-6-9-17(11-18)20(21,22)23/h3-11H,12-13H2,1-2H3
InChIKeyKCMXLLQUIVONAB-UHFFFAOYSA-N
XLogP4.70
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-benzyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3184157
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 31010892
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434226
N-benzyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2454851
N,N-dibenzyl-3-[(dimethylamino)methyl]benzenesulfonamide
CID 59826387
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 129480409
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4131943
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 79378419
methyl 5-[[(4-fluorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]furan-2-carboxylate
CID 2695500
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 167947468

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 30232596) is N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1noc(C)c1CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KCMXLLQUIVONAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3S/c1-14-19(15(2)28-24-14)13-25(12-16-7-4-3-5-8-16)29(26,27)18-10-6-9-17(11-18)20(21,22)23/h3-11H,12-13H2,1-2H3.
What are the key properties of N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 424.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 30232596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).