4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide

C16H11F3N2O3S — CID 10429089

IUPAC4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncco2)cc1
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)12-3-5-13(6-4-12)21-25(22,23)14-7-1-11(2-8-14)15-20-9-10-24-15/h1-10,21H
InChIKeyHIWVBWLFJVJTAJ-UHFFFAOYSA-N
MW368.34 g/mol
LogP4.16
Rot. Bonds4

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

4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 10429089) has the molecular formula C16H11F3N2O3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID10429089
Molecular FormulaC16H11F3N2O3S
Molecular Weight368.34 g/mol
Exact Mass368.04
IUPAC Name4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncco2)cc1
InChIInChI=1S/C16H11F3N2O3S/c17-16(18,19)12-3-5-13(6-4-12)21-25(22,23)14-7-1-11(2-8-14)15-20-9-10-24-15/h1-10,21H
InChIKeyHIWVBWLFJVJTAJ-UHFFFAOYSA-N
XLogP4.16
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-[4-(1,3-oxazol-5-yl)phenyl]benzene-1-sulfonamide
CID 2806353
N-(3-acetylphenyl)-4-(2-cyclopropyl-5-oxazolyl)benzenesulfonamide
CID 20959088
4-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-phenylbenzene-1-sulfonamide
CID 20959112
4-(1,3-Oxazol-2-yl)aniline
CID 12371739
4-[2-((R)-4-Fluoro-phenyl)-oxazol-5-yl]-N-{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12017002
4-[2-(3,4-Difluoro-phenyl)-oxazol-5-yl]-N-{(R)-4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12017003
4-[2-(3,4-Difluoro-benzyl)-oxazol-5-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12017004
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[2-(3,4,5-trifluoro-benzyl)-oxazol-5-yl]-benzenesulfonamide
CID 12017014
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 16027905
4-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide
CID 16027967
N-(4-cyanophenyl)-4-(2-cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 16027971
1-[4-(2-Cyclopropyl-1,3-oxazol-5-YL)benzenesulfonyl]-4-(4-fluorophenyl)piperazine
CID 16027979

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 10429089) is 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2ncco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is HIWVBWLFJVJTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3S/c17-16(18,19)12-3-5-13(6-4-12)21-25(22,23)14-7-1-11(2-8-14)15-20-9-10-24-15/h1-10,21H.
What are the key properties of 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide?
4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 368.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10429089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).