4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide

C16H19F3N2O3S — CID 59123677

IUPAC4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2OC(C(F)(F)F)=NC2C2CCCCC2)cc1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)15-21-13(10-4-2-1-3-5-10)14(24-15)11-6-8-12(9-7-11)25(20,22)23/h6-10,13-14H,1-5H2,(H2,20,22,23)
InChIKeyRJFCMJNQQIKCJV-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.32
Rot. Bonds3

About 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide

4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 59123677) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID59123677
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC Name4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C2OC(C(F)(F)F)=NC2C2CCCCC2)cc1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)15-21-13(10-4-2-1-3-5-10)14(24-15)11-6-8-12(9-7-11)25(20,22)23/h6-10,13-14H,1-5H2,(H2,20,22,23)
InChIKeyRJFCMJNQQIKCJV-UHFFFAOYSA-N
XLogP3.32
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

(2R,3S)-2-(4-fluorophenyl)-6-methyl-4-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)-2,3-dihydro-1,4-oxazine
CID 60154252
[(R)-2-(m-fluorophenyl)-2-methoxyethyl][p-(trifluoromethyl)phenylsulfonyl]amine
CID 97553529
(4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyl-oxazole-d3
CID 9862454
(4S,5R)-4-(Fluoromethyl)-4,5-dihydro-5-[4-(methylsulfonyl)phenyl]-2-phenyloxazole
CID 11088910
[5-(4-Methylsulfonylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]methyl methanesulfonate
CID 23374801
(4S,5R)-4-(fluoromethyl)-2-methyl-5-(4-methylsulfonylphenyl)-4,5-dihydro-1,3-oxazole
CID 57291787
N-[5-(3,4-difluorophenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-4-yl]benzenesulfonamide
CID 58661845
(4S,5R)-4-(fluoromethyl)-5-(4-methylperoxysulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
CID 58720895
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]benzenesulfonamide
CID 59155003
4-[(1R,2S)-2-azido-3-fluoro-1-methoxypropyl]-N,N-dimethylbenzenesulfonamide
CID 59155163
(4S,5R)-4-(Fluoromethyl)-5-{4-[(fluoromethyl)sulfonyl]phenyl}-2-phenyl-4,5-dihydro-1,3-oxazole
CID 59699476
N-(difluoromethyl)-4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]benzenesulfonamide
CID 67637793

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide (CID 59123677) is 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(C2OC(C(F)(F)F)=NC2C2CCCCC2)cc1.
What is the InChIKey of 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is RJFCMJNQQIKCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c17-16(18,19)15-21-13(10-4-2-1-3-5-10)14(24-15)11-6-8-12(9-7-11)25(20,22)23/h6-10,13-14H,1-5H2,(H2,20,22,23).
What are the key properties of 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide?
4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 376.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclohexyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 59123677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).