N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C16H11F3N2O4S — CID 3733543

IUPACN-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)25-13-4-6-14(7-5-13)26(22,23)21-12-3-1-2-11(8-12)15-9-20-10-24-15/h1-10,21H
InChIKeySBDZZNBLFPPZKR-UHFFFAOYSA-N
MW384.34 g/mol
LogP4.04
Rot. Bonds5

About N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3733543) has the molecular formula C16H11F3N2O4S and a molecular weight of 384.34 g/mol. Its IUPAC name is N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3733543
Molecular FormulaC16H11F3N2O4S
Molecular Weight384.34 g/mol
Exact Mass384.04
IUPAC NameN-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2O4S/c17-16(18,19)25-13-4-6-14(7-5-13)26(22,23)21-12-3-1-2-11(8-12)15-9-20-10-24-15/h1-10,21H
InChIKeySBDZZNBLFPPZKR-UHFFFAOYSA-N
XLogP4.04
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3796264
4-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 55826465
4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 58896227
N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691965
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
(2R)-1-acetyl-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 51963359
N-(3,4-dimethoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 3863930
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 71799812
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 38894275
3,4-dichloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 2806355
N-(6-methoxy-3-pyridinyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 40664381
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 3733543) is N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2cnco2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SBDZZNBLFPPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4S/c17-16(18,19)25-13-4-6-14(7-5-13)26(22,23)21-12-3-1-2-11(8-12)15-9-20-10-24-15/h1-10,21H.
What are the key properties of N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 384.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3733543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).