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

C20H19F2N3O3S — CID 71792059

IUPAC3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19F2N3O3S/c21-16-10-9-15(13-17(16)22)29(26,27)25-20(11-5-2-6-12-20)19-23-18(24-28-19)14-7-3-1-4-8-14/h1,3-4,7-10,13,25H,2,5-6,11-12H2
InChIKeyBBUTZGOSUNOEBF-UHFFFAOYSA-N
MW419.45 g/mol
LogP4.15
Rot. Bonds5

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

3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide (PubChem CID 71792059) has the molecular formula C20H19F2N3O3S and a molecular weight of 419.45 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide
PubChem CID71792059
Molecular FormulaC20H19F2N3O3S
Molecular Weight419.45 g/mol
Exact Mass419.11
IUPAC Name3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H19F2N3O3S/c21-16-10-9-15(13-17(16)22)29(26,27)25-20(11-5-2-6-12-20)19-23-18(24-28-19)14-7-3-1-4-8-14/h1,3-4,7-10,13,25H,2,5-6,11-12H2
InChIKeyBBUTZGOSUNOEBF-UHFFFAOYSA-N
XLogP4.15
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide (CID 71792059) is 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide is O=S(=O)(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
The InChIKey is BBUTZGOSUNOEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3S/c21-16-10-9-15(13-17(16)22)29(26,27)25-20(11-5-2-6-12-20)19-23-18(24-28-19)14-7-3-1-4-8-14/h1,3-4,7-10,13,25H,2,5-6,11-12H2.
What are the key properties of 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide?
3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide has a molecular weight of 419.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 71792059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).