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

C13H13F3N2O3S — CID 71789764

IUPACN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C13H13F3N2O3S/c1-9-8-11(21-18-9)6-7-17-22(19,20)12-4-2-10(3-5-12)13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyCQYIKLQZWRMJLE-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.52
Rot. Bonds5

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

N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 71789764) has the molecular formula C13H13F3N2O3S and a molecular weight of 334.32 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID71789764
Molecular FormulaC13H13F3N2O3S
Molecular Weight334.32 g/mol
Exact Mass334.06
IUPAC NameN-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C13H13F3N2O3S/c1-9-8-11(21-18-9)6-7-17-22(19,20)12-4-2-10(3-5-12)13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyCQYIKLQZWRMJLE-UHFFFAOYSA-N
XLogP2.52
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 71789764) is N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is Cc1cc(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CQYIKLQZWRMJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3S/c1-9-8-11(21-18-9)6-7-17-22(19,20)12-4-2-10(3-5-12)13(14,15)16/h2-5,8,17H,6-7H2,1H3.
What are the key properties of N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 334.32 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71789764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).