3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C17H20N4O5S — CID 109064428

IUPAC3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)CC1
InChIInChI=1S/C17H20N4O5S/c1-12-10-16(18-26-12)19-27(24,25)15-5-3-4-14(11-15)17(23)21-8-6-20(7-9-21)13(2)22/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyZXHBYZCBLJFAKI-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.09
Rot. Bonds4

About 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 109064428) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID109064428
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)CC1
InChIInChI=1S/C17H20N4O5S/c1-12-10-16(18-26-12)19-27(24,25)15-5-3-4-14(11-15)17(23)21-8-6-20(7-9-21)13(2)22/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)
InChIKeyZXHBYZCBLJFAKI-UHFFFAOYSA-N
XLogP1.09
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-hydroxy-1-azaspiro[4.4]nonane-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 166402507
3-[4-[hydroxy-(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 166323315
2-[4-[3-(furan-2-ylmethylsulfamoyl)benzoyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 55480300
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-pentylbenzamide
CID 39157474
N-(4-methoxyphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 27229043
3-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 14150694
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
3-(4-acetylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 109062386
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 109064428) is 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is CC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is ZXHBYZCBLJFAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-12-10-16(18-26-12)19-27(24,25)15-5-3-4-14(11-15)17(23)21-8-6-20(7-9-21)13(2)22/h3-5,10-11H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 109064428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).