1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone

C16H17ClN2O3S2 — CID 5004461

IUPAC1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-3-5-15(6-4-13)24(21,22)19-9-7-18(8-10-19)16(20)12-14-2-1-11-23-14/h1-6,11H,7-10,12H2
InChIKeyRZVTXCZIJXFFPM-UHFFFAOYSA-N
MW384.91 g/mol
LogP2.48
Rot. Bonds4

About 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 5004461) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID5004461
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H17ClN2O3S2/c17-13-3-5-15(6-4-13)24(21,22)19-9-7-18(8-10-19)16(20)12-14-2-1-11-23-14/h1-6,11H,7-10,12H2
InChIKeyRZVTXCZIJXFFPM-UHFFFAOYSA-N
XLogP2.48
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone (CID 5004461) is 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is RZVTXCZIJXFFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c17-13-3-5-15(6-4-13)24(21,22)19-9-7-18(8-10-19)16(20)12-14-2-1-11-23-14/h1-6,11H,7-10,12H2.
What are the key properties of 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 384.91 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 5004461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).