4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole

C17H17N3O3S — CID 24784066

IUPAC4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole
SMILESO=S(=O)(c1ccccc1)c1cccc2oc(N3CCNCC3)nc12
InChIInChI=1S/C17H17N3O3S/c21-24(22,13-5-2-1-3-6-13)15-8-4-7-14-16(15)19-17(23-14)20-11-9-18-10-12-20/h1-8,18H,9-12H2
InChIKeyJDESGJUPIXKIGD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.07
Rot. Bonds3

About 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole

4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole (PubChem CID 24784066) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole
PubChem CID24784066
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole
SMILESO=S(=O)(c1ccccc1)c1cccc2oc(N3CCNCC3)nc12
InChIInChI=1S/C17H17N3O3S/c21-24(22,13-5-2-1-3-6-13)15-8-4-7-14-16(15)19-17(23-14)20-11-9-18-10-12-20/h1-8,18H,9-12H2
InChIKeyJDESGJUPIXKIGD-UHFFFAOYSA-N
XLogP2.07
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole (CID 24784066) is 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole is O=S(=O)(c1ccccc1)c1cccc2oc(N3CCNCC3)nc12.
What is the InChIKey of 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole?
The InChIKey is JDESGJUPIXKIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-24(22,13-5-2-1-3-6-13)15-8-4-7-14-16(15)19-17(23-14)20-11-9-18-10-12-20/h1-8,18H,9-12H2.
What are the key properties of 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole?
4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole has a molecular weight of 343.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-piperazin-1-yl-1,3-benzoxazole is sourced from PubChem (CID 24784066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).