2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide

C22H22N2O3S — CID 67624191

IUPAC2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1C1CC=CCC1
InChIInChI=1S/C22H22N2O3S/c23-28(25,26)19-14-8-7-13-18(19)21-22(17-11-5-2-6-12-17)27-20(24-21)15-16-9-3-1-4-10-16/h1-5,7-10,13-14,17H,6,11-12,15H2,(H2,23,25,26)
InChIKeyYFBGGTRKUINTAO-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide

2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 67624191) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID67624191
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1C1CC=CCC1
InChIInChI=1S/C22H22N2O3S/c23-28(25,26)19-14-8-7-13-18(19)21-22(17-11-5-2-6-12-17)27-20(24-21)15-16-9-3-1-4-10-16/h1-5,7-10,13-14,17H,6,11-12,15H2,(H2,23,25,26)
InChIKeyYFBGGTRKUINTAO-UHFFFAOYSA-N
XLogP4.40
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide (CID 67624191) is 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1nc(Cc2ccccc2)oc1C1CC=CCC1.
What is the InChIKey of 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is YFBGGTRKUINTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c23-28(25,26)19-14-8-7-13-18(19)21-22(17-11-5-2-6-12-17)27-20(24-21)15-16-9-3-1-4-10-16/h1-5,7-10,13-14,17H,6,11-12,15H2,(H2,23,25,26).
What are the key properties of 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide?
2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-5-cyclohex-3-en-1-yl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 67624191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).