[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone

C18H21N3O4S — CID 2710693

IUPAC[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-2-25-16-3-5-17(6-4-16)26(23,24)21-13-11-20(12-14-21)18(22)15-7-9-19-10-8-15/h3-10H,2,11-14H2,1H3
InChIKeyRFCJEXPGNPNCCR-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.63
Rot. Bonds5

About [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone

[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 2710693) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID2710693
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-2-25-16-3-5-17(6-4-16)26(23,24)21-13-11-20(12-14-21)18(22)15-7-9-19-10-8-15/h3-10H,2,11-14H2,1H3
InChIKeyRFCJEXPGNPNCCR-UHFFFAOYSA-N
XLogP1.63
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone (CID 2710693) is [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone is CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is RFCJEXPGNPNCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-2-25-16-3-5-17(6-4-16)26(23,24)21-13-11-20(12-14-21)18(22)15-7-9-19-10-8-15/h3-10H,2,11-14H2,1H3.
What are the key properties of [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone?
[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 375.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 2710693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).