N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

C15H12F3N3O3S — CID 166317930

IUPACN-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCCc1noc2ccccc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)10-5-6-14(19-9-10)25(22,23)20-8-7-12-11-3-1-2-4-13(11)24-21-12/h1-6,9,20H,7-8H2
InChIKeyXEQAIOHGRYIAAV-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 166317930) has the molecular formula C15H12F3N3O3S and a molecular weight of 371.34 g/mol. Its IUPAC name is N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID166317930
Molecular FormulaC15H12F3N3O3S
Molecular Weight371.34 g/mol
Exact Mass371.06
IUPAC NameN-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESO=S(=O)(NCCc1noc2ccccc12)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H12F3N3O3S/c16-15(17,18)10-5-6-14(19-9-10)25(22,23)20-8-7-12-11-3-1-2-4-13(11)24-21-12/h1-6,9,20H,7-8H2
InChIKeyXEQAIOHGRYIAAV-UHFFFAOYSA-N
XLogP2.76
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 166317930) is N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is O=S(=O)(NCCc1noc2ccccc12)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is XEQAIOHGRYIAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3S/c16-15(17,18)10-5-6-14(19-9-10)25(22,23)20-8-7-12-11-3-1-2-4-13(11)24-21-12/h1-6,9,20H,7-8H2.
What are the key properties of N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 371.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-benzoxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 166317930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).