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

C11H9F3N2O3S — CID 8519021

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C11H9F3N2O3S/c1-7-5-10(15-19-7)16-20(17,18)9-4-2-3-8(6-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyBBXYXCHXOGSTKB-UHFFFAOYSA-N
MW306.27 g/mol
LogP2.80
Rot. Bonds3

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

N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 8519021) has the molecular formula C11H9F3N2O3S and a molecular weight of 306.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID8519021
Molecular FormulaC11H9F3N2O3S
Molecular Weight306.27 g/mol
Exact Mass306.03
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)no1
InChIInChI=1S/C11H9F3N2O3S/c1-7-5-10(15-19-7)16-20(17,18)9-4-2-3-8(6-9)11(12,13)14/h2-6H,1H3,(H,15,16)
InChIKeyBBXYXCHXOGSTKB-UHFFFAOYSA-N
XLogP2.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 139864536
N-(5-methyl-1,2-oxazol-3-yl)-2-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5046108
N-(5-ethyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 115701458
N-(5-methyl-1,2-oxazol-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 155962472
CID 57350054
CID 57350054
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 46365646
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 166203944
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 86794026

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 8519021) is N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BBXYXCHXOGSTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S/c1-7-5-10(15-19-7)16-20(17,18)9-4-2-3-8(6-9)11(12,13)14/h2-6H,1H3,(H,15,16).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 306.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 8519021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).