N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide

C16H13F3N2O4S — CID 53078555

IUPACN-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)c1
InChIInChI=1S/C16H13F3N2O4S/c1-9-3-4-10(2)11(7-9)21-26(22,23)15-6-5-13(24-15)12-8-14(25-20-12)16(17,18)19/h3-8,21H,1-2H3
InChIKeyFPILBNKIAHLCDN-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.37
Rot. Bonds4

About N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide

N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide (PubChem CID 53078555) has the molecular formula C16H13F3N2O4S and a molecular weight of 386.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
PubChem CID53078555
Molecular FormulaC16H13F3N2O4S
Molecular Weight386.35 g/mol
Exact Mass386.05
IUPAC NameN-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)c1
InChIInChI=1S/C16H13F3N2O4S/c1-9-3-4-10(2)11(7-9)21-26(22,23)15-6-5-13(24-15)12-8-14(25-20-12)16(17,18)19/h3-8,21H,1-2H3
InChIKeyFPILBNKIAHLCDN-UHFFFAOYSA-N
XLogP4.37
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylacetamide
CID 177254461
ethyl 4-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]benzoate
CID 50788763
5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide
CID 177254462
N-(2-methoxy-5-methylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 20935961
cis-(1S,3S)-2-methyl-3-phenyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 59826684
N-(4-chloro-2-methylphenyl)-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840169
4-bromo-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000614
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)furan-2-sulfonamide
CID 53085917
2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-3-sulfonamide
CID 50840249
N-(2,3-dimethylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)furan-2-sulfonamide
CID 53085804
N-(2,3-dimethylphenyl)-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839429
N-(3-chloro-4-methylphenyl)-2-methoxy-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]benzenesulfonamide
CID 46396248

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide (CID 53078555) is N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)on3)o2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
The InChIKey is FPILBNKIAHLCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O4S/c1-9-3-4-10(2)11(7-9)21-26(22,23)15-6-5-13(24-15)12-8-14(25-20-12)16(17,18)19/h3-8,21H,1-2H3.
What are the key properties of N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide?
N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide has a molecular weight of 386.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]furan-2-sulfonamide is sourced from PubChem (CID 53078555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).