4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one

C10H10Cl2N2O3S — CID 2604523

IUPAC4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C10H10Cl2N2O3S/c11-7-2-1-3-8(10(7)12)18(16,17)14-5-4-13-9(15)6-14/h1-3H,4-6H2,(H,13,15)
InChIKeyKTZWELRZRSTCBG-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.11
Rot. Bonds2

About 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one

4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one (PubChem CID 2604523) has the molecular formula C10H10Cl2N2O3S and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one
PubChem CID2604523
Molecular FormulaC10H10Cl2N2O3S
Molecular Weight309.17 g/mol
Exact Mass307.98
IUPAC Name4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCN1
InChIInChI=1S/C10H10Cl2N2O3S/c11-7-2-1-3-8(10(7)12)18(16,17)14-5-4-13-9(15)6-14/h1-3H,4-6H2,(H,13,15)
InChIKeyKTZWELRZRSTCBG-UHFFFAOYSA-N
XLogP1.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one?
The IUPAC name of 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one (CID 2604523) is 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one is O=C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCN1.
What is the InChIKey of 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one?
The InChIKey is KTZWELRZRSTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2O3S/c11-7-2-1-3-8(10(7)12)18(16,17)14-5-4-13-9(15)6-14/h1-3H,4-6H2,(H,13,15).
What are the key properties of 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one?
4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one has a molecular weight of 309.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 2604523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).