[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

C15H14Cl2N2O3S2 — CID 4847338

IUPAC[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H14Cl2N2O3S2/c16-11-3-1-5-13(14(11)17)24(21,22)19-8-6-18(7-9-19)15(20)12-4-2-10-23-12/h1-5,10H,6-9H2
InChIKeyQHVHMPYHBMZHSP-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.20
Rot. Bonds3

About [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 4847338) has the molecular formula C15H14Cl2N2O3S2 and a molecular weight of 405.33 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID4847338
Molecular FormulaC15H14Cl2N2O3S2
Molecular Weight405.33 g/mol
Exact Mass403.98
IUPAC Name[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H14Cl2N2O3S2/c16-11-3-1-5-13(14(11)17)24(21,22)19-8-6-18(7-9-19)15(20)12-4-2-10-23-12/h1-5,10H,6-9H2
InChIKeyQHVHMPYHBMZHSP-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 4847338) is [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QHVHMPYHBMZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S2/c16-11-3-1-5-13(14(11)17)24(21,22)19-8-6-18(7-9-19)15(20)12-4-2-10-23-12/h1-5,10H,6-9H2.
What are the key properties of [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 405.33 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 4847338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).