N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide

C17H13F3N2O2S — CID 142872026

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide
SMILESCc1cc(NS(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)no1
InChIInChI=1S/C17H13F3N2O2S/c1-11-9-16(21-24-11)22-25(23)15-7-5-12(6-8-15)13-3-2-4-14(10-13)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyCWUJUAAADRWWLB-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.80
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide

N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide (PubChem CID 142872026) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide
PubChem CID142872026
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide
SMILESCc1cc(NS(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)no1
InChIInChI=1S/C17H13F3N2O2S/c1-11-9-16(21-24-11)22-25(23)15-7-5-12(6-8-15)13-3-2-4-14(10-13)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKeyCWUJUAAADRWWLB-UHFFFAOYSA-N
XLogP4.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 8519021
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
5-methyl-3-[[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]methyl]-1,2-oxazole
CID 95593600
dihydroxy-methoxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90171711
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983378
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide (CID 142872026) is N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide is Cc1cc(NS(=O)c2ccc(-c3cccc(C(F)(F)F)c3)cc2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide?
The InChIKey is CWUJUAAADRWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-11-9-16(21-24-11)22-25(23)15-7-5-12(6-8-15)13-3-2-4-14(10-13)17(18,19)20/h2-10H,1H3,(H,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide has a molecular weight of 366.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide is sourced from PubChem (CID 142872026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).