4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride

C11H15ClN2O4S2 — CID 75409784

IUPAC4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride
SMILESCS(=O)(=O)c1cccc(N2CCN(S(=O)(=O)Cl)CC2)c1
InChIInChI=1S/C11H15ClN2O4S2/c1-19(15,16)11-4-2-3-10(9-11)13-5-7-14(8-6-13)20(12,17)18/h2-4,9H,5-8H2,1H3
InChIKeyJLRJOANHSVGYGC-UHFFFAOYSA-N
MW338.84 g/mol
LogP0.70
Rot. Bonds3

About 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride

4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride (PubChem CID 75409784) has the molecular formula C11H15ClN2O4S2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride.

Molecular Properties

Compound Name4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride
PubChem CID75409784
Molecular FormulaC11H15ClN2O4S2
Molecular Weight338.84 g/mol
Exact Mass338.02
IUPAC Name4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride
SMILESCS(=O)(=O)c1cccc(N2CCN(S(=O)(=O)Cl)CC2)c1
InChIInChI=1S/C11H15ClN2O4S2/c1-19(15,16)11-4-2-3-10(9-11)13-5-7-14(8-6-13)20(12,17)18/h2-4,9H,5-8H2,1H3
InChIKeyJLRJOANHSVGYGC-UHFFFAOYSA-N
XLogP0.70
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 2995650
1-(3-methylphenyl)-4-(4-methylsulfonylphenyl)piperazine
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1-(4-methoxyphenyl)-4-(3-methylsulfonylphenyl)sulfonylpiperazine
CID 55559198
3-(4-methylsulfonylpiperazin-1-yl)phenol
CID 640050
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(3-methylsulfonylphenyl)pyrrole
CID 67689461
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709
N-[3-(4-methylsulfonylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 110362881
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
1-(3-propan-2-ylsulfonylphenyl)pyrrolidine
CID 168514777
1-(2,3-dichlorophenyl)-4-(4-methylsulfonylphenyl)piperazine
CID 171690872
6-bromo-4-[4-(3-methylsulfonylphenyl)-1,4-diazepan-1-yl]quinazoline
CID 22031431

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride?
The IUPAC name of 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride (CID 75409784) is 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride.
What is the SMILES notation for 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride?
The canonical SMILES for 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride is CS(=O)(=O)c1cccc(N2CCN(S(=O)(=O)Cl)CC2)c1.
What is the InChIKey of 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride?
The InChIKey is JLRJOANHSVGYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S2/c1-19(15,16)11-4-2-3-10(9-11)13-5-7-14(8-6-13)20(12,17)18/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride?
4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride has a molecular weight of 338.84 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride is sourced from PubChem (CID 75409784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).