4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide

C22H17ClN2O3S — CID 18701480

IUPAC4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O3S/c23-18-10-6-16(7-11-18)21-22(17-8-12-19(13-9-17)29(24,26)27)28-20(25-21)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,24,26,27)
InChIKeyHZRJWKMLEWDQRN-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.90
Rot. Bonds5

About 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide

4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 18701480) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID18701480
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H17ClN2O3S/c23-18-10-6-16(7-11-18)21-22(17-8-12-19(13-9-17)29(24,26)27)28-20(25-21)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,24,26,27)
InChIKeyHZRJWKMLEWDQRN-UHFFFAOYSA-N
XLogP4.90
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 18701480) is 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is HZRJWKMLEWDQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c23-18-10-6-16(7-11-18)21-22(17-8-12-19(13-9-17)29(24,26)27)28-20(25-21)14-15-4-2-1-3-5-15/h1-13H,14H2,(H2,24,26,27).
What are the key properties of 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 18701480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).