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

C22H17ClN2O4S — CID 18701887

IUPAC4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(COc3ccccc3Cl)oc2-c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O4S/c23-18-8-4-5-9-19(18)28-14-20-25-21(22(29-20)16-6-2-1-3-7-16)15-10-12-17(13-11-15)30(24,26)27/h1-13H,14H2,(H2,24,26,27)
InChIKeyVZYGWLPYKCCGBC-UHFFFAOYSA-N
MW440.91 g/mol
LogP4.89
Rot. Bonds6

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

4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 18701887) has the molecular formula C22H17ClN2O4S and a molecular weight of 440.91 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID18701887
Molecular FormulaC22H17ClN2O4S
Molecular Weight440.91 g/mol
Exact Mass440.06
IUPAC Name4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(COc3ccccc3Cl)oc2-c2ccccc2)cc1
InChIInChI=1S/C22H17ClN2O4S/c23-18-8-4-5-9-19(18)28-14-20-25-21(22(29-20)16-6-2-1-3-7-16)15-10-12-17(13-11-15)30(24,26)27/h1-13H,14H2,(H2,24,26,27)
InChIKeyVZYGWLPYKCCGBC-UHFFFAOYSA-N
XLogP4.89
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.91
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(4-fluorophenoxy)methyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701723
4-[2-(hydroxymethyl)-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide
CID 18701527
4-[2-benzyl-4-(4-chlorophenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701480
4-[4-phenyl-2-(3-phenylpropyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701848
[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]methylphosphonic acid
CID 67772131
5-(4-methylsulfonylphenyl)-2-(phenoxymethyl)-4-phenyl-1,3-oxazole
CID 18701821
methyl 3-[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]propanoate
CID 11948196
2-[4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]acetic acid
CID 11949254
4-[2-[[5-(4-methoxyoxan-4-yl)-3-pyridinyl]oxymethyl]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 22246115
4-(2-methoxy-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 18701519
4-[2-benzyl-4-(2,6-dimethoxyphenyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 18701737
4-(2-chloro-4-phenyl-1,3-oxazol-5-yl)benzenesulfonamide;2-[[4-phenyl-5-(4-sulfamoylphenyl)-1,3-oxazol-2-yl]oxy]benzoic acid
CID 67771829

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide (CID 18701887) is 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(COc3ccccc3Cl)oc2-c2ccccc2)cc1.
What is the InChIKey of 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is VZYGWLPYKCCGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4S/c23-18-8-4-5-9-19(18)28-14-20-25-21(22(29-20)16-6-2-1-3-7-16)15-10-12-17(13-11-15)30(24,26)27/h1-13H,14H2,(H2,24,26,27).
What are the key properties of 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide?
4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 440.91 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenoxy)methyl]-5-phenyl-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 18701887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).