2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide

C19H17F3N2O6S — CID 153380987

IUPAC2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(NS(=O)(=O)c2c(OC)cccc2OC)no1
InChIInChI=1S/C19H17F3N2O6S/c1-27-13-8-7-11(19(20,21)22)9-12(13)16-10-17(23-30-16)24-31(25,26)18-14(28-2)5-4-6-15(18)29-3/h4-10H,1-3H3,(H,23,24)
InChIKeyYWBHSYDIACMEQU-UHFFFAOYSA-N
MW458.41 g/mol
LogP4.19
Rot. Bonds7

About 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide

2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide (PubChem CID 153380987) has the molecular formula C19H17F3N2O6S and a molecular weight of 458.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide
PubChem CID153380987
Molecular FormulaC19H17F3N2O6S
Molecular Weight458.41 g/mol
Exact Mass458.08
IUPAC Name2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(C(F)(F)F)cc1-c1cc(NS(=O)(=O)c2c(OC)cccc2OC)no1
InChIInChI=1S/C19H17F3N2O6S/c1-27-13-8-7-11(19(20,21)22)9-12(13)16-10-17(23-30-16)24-31(25,26)18-14(28-2)5-4-6-15(18)29-3/h4-10H,1-3H3,(H,23,24)
InChIKeyYWBHSYDIACMEQU-UHFFFAOYSA-N
XLogP4.19
TPSA99.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
The IUPAC name of 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide (CID 153380987) is 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide is COc1ccc(C(F)(F)F)cc1-c1cc(NS(=O)(=O)c2c(OC)cccc2OC)no1.
What is the InChIKey of 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
The InChIKey is YWBHSYDIACMEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O6S/c1-27-13-8-7-11(19(20,21)22)9-12(13)16-10-17(23-30-16)24-31(25,26)18-14(28-2)5-4-6-15(18)29-3/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide?
2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide has a molecular weight of 458.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 153380987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).