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

C16H9F6N3O3S — CID 2739464

IUPACN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6N3O3S/c17-15(18,19)10-5-11(16(20,21)22)7-13(6-10)29(26,27)25-12-3-1-2-9(4-12)14-24-23-8-28-14/h1-8,25H
InChIKeyYQPXJSCDHIFPLG-UHFFFAOYSA-N
MW437.32 g/mol
LogP4.57
Rot. Bonds4

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

N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (PubChem CID 2739464) has the molecular formula C16H9F6N3O3S and a molecular weight of 437.32 g/mol. Its IUPAC name is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
PubChem CID2739464
Molecular FormulaC16H9F6N3O3S
Molecular Weight437.32 g/mol
Exact Mass437.03
IUPAC NameN-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nnco2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6N3O3S/c17-15(18,19)10-5-11(16(20,21)22)7-13(6-10)29(26,27)25-12-3-1-2-9(4-12)14-24-23-8-28-14/h1-8,25H
InChIKeyYQPXJSCDHIFPLG-UHFFFAOYSA-N
XLogP4.57
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide (CID 2739464) is N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nnco2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
The InChIKey is YQPXJSCDHIFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3O3S/c17-15(18,19)10-5-11(16(20,21)22)7-13(6-10)29(26,27)25-12-3-1-2-9(4-12)14-24-23-8-28-14/h1-8,25H.
What are the key properties of N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide?
N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide has a molecular weight of 437.32 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-3,5-bis(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2739464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).