2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide

C14H18N4O3S — CID 99830416

IUPAC2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C14H18N4O3S/c15-22(19,20)14-4-2-1-3-13(14)18-8-6-17(7-9-18)11-12-5-10-21-16-12/h1-5,10H,6-9,11H2,(H2,15,19,20)
InChIKeyZIWKSXUZOBLBOF-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.64
Rot. Bonds4

About 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide

2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide (PubChem CID 99830416) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide
PubChem CID99830416
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1N1CCN(Cc2ccon2)CC1
InChIInChI=1S/C14H18N4O3S/c15-22(19,20)14-4-2-1-3-13(14)18-8-6-17(7-9-18)11-12-5-10-21-16-12/h1-5,10H,6-9,11H2,(H2,15,19,20)
InChIKeyZIWKSXUZOBLBOF-UHFFFAOYSA-N
XLogP0.64
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The IUPAC name of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide (CID 99830416) is 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1N1CCN(Cc2ccon2)CC1.
What is the InChIKey of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide?
The InChIKey is ZIWKSXUZOBLBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c15-22(19,20)14-4-2-1-3-13(14)18-8-6-17(7-9-18)11-12-5-10-21-16-12/h1-5,10H,6-9,11H2,(H2,15,19,20).
What are the key properties of 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide?
2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide has a molecular weight of 322.39 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-oxazol-3-ylmethyl)piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 99830416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).