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

C17H13ClN2O4S — CID 110402619

IUPAC3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2O4S/c1-11(21)13-3-2-4-15(9-13)25(22,23)20-17-16(10-19-24-17)12-5-7-14(18)8-6-12/h2-10,20H,1H3
InChIKeyBSGRIOFRQOZZKS-UHFFFAOYSA-N
MW376.82 g/mol
LogP4.00
Rot. Bonds5

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

3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide (PubChem CID 110402619) has the molecular formula C17H13ClN2O4S and a molecular weight of 376.82 g/mol. Its IUPAC name is 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
PubChem CID110402619
Molecular FormulaC17H13ClN2O4S
Molecular Weight376.82 g/mol
Exact Mass376.03
IUPAC Name3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClN2O4S/c1-11(21)13-3-2-4-15(9-13)25(22,23)20-17-16(10-19-24-17)12-5-7-14(18)8-6-12/h2-10,20H,1H3
InChIKeyBSGRIOFRQOZZKS-UHFFFAOYSA-N
XLogP4.00
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide
CID 110402617
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 110402160
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
1-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-(4-methylphenyl)sulfonylurea
CID 110402562
3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102990181
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
CID 110402597
5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402489
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide (CID 110402619) is 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
The InChIKey is BSGRIOFRQOZZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S/c1-11(21)13-3-2-4-15(9-13)25(22,23)20-17-16(10-19-24-17)12-5-7-14(18)8-6-12/h2-10,20H,1H3.
What are the key properties of 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide?
3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide has a molecular weight of 376.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 110402619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).