4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine

C23H17ClN2O5S — CID 44616299

IUPAC4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1Nc1cccc2c1OCCO2
InChIInChI=1S/C23H17ClN2O5S/c24-17-10-5-4-9-16(17)21-26-23(32(27,28)15-7-2-1-3-8-15)22(31-21)25-18-11-6-12-19-20(18)30-14-13-29-19/h1-12,25H,13-14H2
InChIKeySOMLSXDDHFJCIX-UHFFFAOYSA-N
MW468.92 g/mol
LogP5.34
Rot. Bonds5

About 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine

4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine (PubChem CID 44616299) has the molecular formula C23H17ClN2O5S and a molecular weight of 468.92 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine
PubChem CID44616299
Molecular FormulaC23H17ClN2O5S
Molecular Weight468.92 g/mol
Exact Mass468.05
IUPAC Name4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine
SMILESO=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1Nc1cccc2c1OCCO2
InChIInChI=1S/C23H17ClN2O5S/c24-17-10-5-4-9-16(17)21-26-23(32(27,28)15-7-2-1-3-8-15)22(31-21)25-18-11-6-12-19-20(18)30-14-13-29-19/h1-12,25H,13-14H2
InChIKeySOMLSXDDHFJCIX-UHFFFAOYSA-N
XLogP5.34
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.92
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine?
The IUPAC name of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine (CID 44616299) is 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine?
The canonical SMILES for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine is O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1Nc1cccc2c1OCCO2.
What is the InChIKey of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine?
The InChIKey is SOMLSXDDHFJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O5S/c24-17-10-5-4-9-16(17)21-26-23(32(27,28)15-7-2-1-3-8-15)22(31-21)25-18-11-6-12-19-20(18)30-14-13-29-19/h1-12,25H,13-14H2.
What are the key properties of 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine?
4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine has a molecular weight of 468.92 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazol-5-amine is sourced from PubChem (CID 44616299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).