N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide

C21H15ClN2O4S — CID 67596505

IUPACN-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)noc1Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H15ClN2O4S/c22-16-11-13-17(14-12-16)27-21-20(19(23-28-21)15-7-3-1-4-8-15)24-29(25,26)18-9-5-2-6-10-18/h1-14,24H
InChIKeyKXVVPHXBSBAINY-UHFFFAOYSA-N
MW426.88 g/mol
LogP5.59
Rot. Bonds6

About N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide

N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 67596505) has the molecular formula C21H15ClN2O4S and a molecular weight of 426.88 g/mol. Its IUPAC name is N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID67596505
Molecular FormulaC21H15ClN2O4S
Molecular Weight426.88 g/mol
Exact Mass426.04
IUPAC NameN-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1c(-c2ccccc2)noc1Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C21H15ClN2O4S/c22-16-11-13-17(14-12-16)27-21-20(19(23-28-21)15-7-3-1-4-8-15)24-29(25,26)18-9-5-2-6-10-18/h1-14,24H
InChIKeyKXVVPHXBSBAINY-UHFFFAOYSA-N
XLogP5.59
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.88
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide (CID 67596505) is N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1c(-c2ccccc2)noc1Oc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is KXVVPHXBSBAINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4S/c22-16-11-13-17(14-12-16)27-21-20(19(23-28-21)15-7-3-1-4-8-15)24-29(25,26)18-9-5-2-6-10-18/h1-14,24H.
What are the key properties of N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide?
N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 426.88 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenoxy)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67596505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).