4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide

C13H14N2O4S — CID 110660491

IUPAC4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ncc(C)o2)cc1
InChIInChI=1S/C13H14N2O4S/c1-9-7-14-13(19-9)8-15-20(17,18)12-5-3-11(4-6-12)10(2)16/h3-7,15H,8H2,1-2H3
InChIKeyJNPRQALVIJDHDO-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.66
Rot. Bonds5

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

4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110660491) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
PubChem CID110660491
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ncc(C)o2)cc1
InChIInChI=1S/C13H14N2O4S/c1-9-7-14-13(19-9)8-15-20(17,18)12-5-3-11(4-6-12)10(2)16/h3-7,15H,8H2,1-2H3
InChIKeyJNPRQALVIJDHDO-UHFFFAOYSA-N
XLogP1.66
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
2-hydroxy-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 106370356
4-amino-3-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369102
2-chloro-4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]benzoic acid
CID 104654766
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propanoylbenzenesulfonamide
CID 71912536
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-4-sulfonamide
CID 114180923
3-acetyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660707
4-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoylmethyl]benzoic acid
CID 106370360
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 106373792
N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanesulfonamide
CID 110660417
3-(aminomethyl)-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378093
4-fluoro-3-(methylaminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378168

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide (CID 110660491) is 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2ncc(C)o2)cc1.
What is the InChIKey of 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is JNPRQALVIJDHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-9-7-14-13(19-9)8-15-20(17,18)12-5-3-11(4-6-12)10(2)16/h3-7,15H,8H2,1-2H3.
What are the key properties of 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide?
4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110660491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).