N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide

C11H8BrF3N2O3S — CID 139864536

IUPACN-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1onc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1Br
InChIInChI=1S/C11H8BrF3N2O3S/c1-6-9(12)10(16-20-6)17-21(18,19)8-4-2-3-7(5-8)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyGMIASYCWLWDZIR-UHFFFAOYSA-N
MW385.16 g/mol
LogP3.57
Rot. Bonds3

About N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 139864536) has the molecular formula C11H8BrF3N2O3S and a molecular weight of 385.16 g/mol. Its IUPAC name is N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID139864536
Molecular FormulaC11H8BrF3N2O3S
Molecular Weight385.16 g/mol
Exact Mass383.94
IUPAC NameN-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1onc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1Br
InChIInChI=1S/C11H8BrF3N2O3S/c1-6-9(12)10(16-20-6)17-21(18,19)8-4-2-3-7(5-8)11(13,14)15/h2-5H,1H3,(H,16,17)
InChIKeyGMIASYCWLWDZIR-UHFFFAOYSA-N
XLogP3.57
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
N-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434226
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707
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-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
2-[3,5-dimethyl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]pyrazol-1-yl]acetic acid
CID 50959406
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71807329

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 139864536) is N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is Cc1onc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1Br.
What is the InChIKey of N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GMIASYCWLWDZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N2O3S/c1-6-9(12)10(16-20-6)17-21(18,19)8-4-2-3-7(5-8)11(13,14)15/h2-5H,1H3,(H,16,17).
What are the key properties of N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.16 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 139864536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).