N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C15H10F3N3O3S — CID 127046477

IUPACN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccc1
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)11-8-6-10(7-9-11)13-19-20-14(24-13)21-25(22,23)12-4-2-1-3-5-12/h1-9H,(H,20,21)
InChIKeyBXNKWRMZNYIVEV-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.56
Rot. Bonds4

About N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 127046477) has the molecular formula C15H10F3N3O3S and a molecular weight of 369.32 g/mol. Its IUPAC name is N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID127046477
Molecular FormulaC15H10F3N3O3S
Molecular Weight369.32 g/mol
Exact Mass369.04
IUPAC NameN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccc1
InChIInChI=1S/C15H10F3N3O3S/c16-15(17,18)11-8-6-10(7-9-11)13-19-20-14(24-13)21-25(22,23)12-4-2-1-3-5-12/h1-9H,(H,20,21)
InChIKeyBXNKWRMZNYIVEV-UHFFFAOYSA-N
XLogP3.56
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 127046477) is N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is O=S(=O)(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccccc1.
What is the InChIKey of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is BXNKWRMZNYIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O3S/c16-15(17,18)11-8-6-10(7-9-11)13-19-20-14(24-13)21-25(22,23)12-4-2-1-3-5-12/h1-9H,(H,20,21).
What are the key properties of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 369.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 127046477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).