1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one

C14H18Cl2N2O5S2 — CID 55702670

IUPAC1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)S(C)(=O)=O
InChIInChI=1S/C14H18Cl2N2O5S2/c1-10(24(2,20)21)14(19)17-6-8-18(9-7-17)25(22,23)12-5-3-4-11(15)13(12)16/h3-5,10H,6-9H2,1-2H3
InChIKeyKVEQSKSYAFYAFO-UHFFFAOYSA-N
MW429.35 g/mol
LogP1.26
Rot. Bonds4

About 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one

1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one (PubChem CID 55702670) has the molecular formula C14H18Cl2N2O5S2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
PubChem CID55702670
Molecular FormulaC14H18Cl2N2O5S2
Molecular Weight429.35 g/mol
Exact Mass428.00
IUPAC Name1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one
SMILESCC(C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)S(C)(=O)=O
InChIInChI=1S/C14H18Cl2N2O5S2/c1-10(24(2,20)21)14(19)17-6-8-18(9-7-17)25(22,23)12-5-3-4-11(15)13(12)16/h3-5,10H,6-9H2,1-2H3
InChIKeyKVEQSKSYAFYAFO-UHFFFAOYSA-N
XLogP1.26
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119265778
3-amino-1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 119678970
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
ethyl 4-(2,3-dichlorophenyl)sulfonylpiperazine-1-carboxylate
CID 26947781
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-(dimethylamino)ethanone
CID 39975356
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
N-[2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 27563305
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 55687787
2-methylsulfonyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 55699558
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2,2-diphenylethanone
CID 112764850
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 9374240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one (CID 55702670) is 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one is CC(C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1)S(C)(=O)=O.
What is the InChIKey of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one?
The InChIKey is KVEQSKSYAFYAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O5S2/c1-10(24(2,20)21)14(19)17-6-8-18(9-7-17)25(22,23)12-5-3-4-11(15)13(12)16/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one?
1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one has a molecular weight of 429.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 55702670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).