N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide

C14H9F3N2O4S — CID 155962881

IUPACN-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2o1
InChIInChI=1S/C14H9F3N2O4S/c15-14(16,17)8-2-1-3-10(6-8)24(21,22)19-9-4-5-11-12(7-9)23-13(20)18-11/h1-7,19H,(H,18,20)
InChIKeyXMALNYBPMYLMQI-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.94
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 155962881) has the molecular formula C14H9F3N2O4S and a molecular weight of 358.30 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID155962881
Molecular FormulaC14H9F3N2O4S
Molecular Weight358.30 g/mol
Exact Mass358.02
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=c1[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2o1
InChIInChI=1S/C14H9F3N2O4S/c15-14(16,17)8-2-1-3-10(6-8)24(21,22)19-9-4-5-11-12(7-9)23-13(20)18-11/h1-7,19H,(H,18,20)
InChIKeyXMALNYBPMYLMQI-UHFFFAOYSA-N
XLogP2.94
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 92648168
2-oxo-N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]-3H-1,3-benzoxazole-6-sulfonamide
CID 110518298
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
3-chloro-4-methoxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110350533
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 43018778
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346354

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 155962881) is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide is O=c1[nH]c2ccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2o1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is XMALNYBPMYLMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O4S/c15-14(16,17)8-2-1-3-10(6-8)24(21,22)19-9-4-5-11-12(7-9)23-13(20)18-11/h1-7,19H,(H,18,20).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 358.30 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 155962881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).