1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine

C14H21ClN2O4S2 — CID 51170108

IUPAC1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O4S2/c1-2-3-11-22(18,19)16-7-9-17(10-8-16)23(20,21)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3
InChIKeyCLTABXHAXSNBLJ-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.78
Rot. Bonds6

About 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine

1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine (PubChem CID 51170108) has the molecular formula C14H21ClN2O4S2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
PubChem CID51170108
Molecular FormulaC14H21ClN2O4S2
Molecular Weight380.92 g/mol
Exact Mass380.06
IUPAC Name1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine
SMILESCCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H21ClN2O4S2/c1-2-3-11-22(18,19)16-7-9-17(10-8-16)23(20,21)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3
InChIKeyCLTABXHAXSNBLJ-UHFFFAOYSA-N
XLogP1.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-butylsulfonyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110819058
1-(benzenesulfonyl)-4-propylsulfonylpiperazine
CID 719624
1-(3-chlorophenyl)sulfonyl-4-(2-methylpropyl)piperazine;hydrochloride
CID 163331804
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-2-propylsulfanylethanone
CID 55822268
1-[4-(3-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one
CID 110796550
1-(3-chlorophenyl)sulfonyl-4-phenylpiperazine
CID 2481211
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-pentylsulfonylpiperazine
CID 86937206
1-butylsulfonyl-4-(2-methylphenyl)sulfonylpiperazine
CID 110819064
1-[4-[(2S)-butan-2-yl]phenyl]sulfonyl-4-butylsulfonylpiperazine
CID 27522527
1-(3-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)piperazine
CID 19132655
1-(3-chlorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 18074509

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine?
The IUPAC name of 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine (CID 51170108) is 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine.
What is the SMILES notation for 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine?
The canonical SMILES for 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine is CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine?
The InChIKey is CLTABXHAXSNBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S2/c1-2-3-11-22(18,19)16-7-9-17(10-8-16)23(20,21)14-6-4-5-13(15)12-14/h4-6,12H,2-3,7-11H2,1H3.
What are the key properties of 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine?
1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine has a molecular weight of 380.92 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-4-(3-chlorophenyl)sulfonylpiperazine is sourced from PubChem (CID 51170108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).