1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine

C23H32N2O4S2 — CID 19684728

IUPAC1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-3-5-7-21-10-14-23(15-11-21)31(28,29)25-18-16-24(17-19-25)30(26,27)22-12-8-20(6-4-2)9-13-22/h8-15H,3-7,16-19H2,1-2H3
InChIKeyKPKWLLPHLHPBRD-UHFFFAOYSA-N
MW464.65 g/mol
LogP3.68
Rot. Bonds9

About 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine

1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine (PubChem CID 19684728) has the molecular formula C23H32N2O4S2 and a molecular weight of 464.65 g/mol. Its IUPAC name is 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
PubChem CID19684728
Molecular FormulaC23H32N2O4S2
Molecular Weight464.65 g/mol
Exact Mass464.18
IUPAC Name1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)cc1
InChIInChI=1S/C23H32N2O4S2/c1-3-5-7-21-10-14-23(15-11-21)31(28,29)25-18-16-24(17-19-25)30(26,27)22-12-8-20(6-4-2)9-13-22/h8-15H,3-7,16-19H2,1-2H3
InChIKeyKPKWLLPHLHPBRD-UHFFFAOYSA-N
XLogP3.68
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylphenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377884
1-(4-butylphenyl)sulfonylpiperidin-4-one
CID 59565035
1-(4-butylphenyl)sulfonyl-4-(2,5-dimethylphenyl)sulfonylpiperazine
CID 19684732
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725
2-[4-(4-hexylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 84558276
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 25237055
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
9-(4-butylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane
CID 3777515
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine?
The IUPAC name of 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine (CID 19684728) is 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine is CCCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)cc1.
What is the InChIKey of 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine?
The InChIKey is KPKWLLPHLHPBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S2/c1-3-5-7-21-10-14-23(15-11-21)31(28,29)25-18-16-24(17-19-25)30(26,27)22-12-8-20(6-4-2)9-13-22/h8-15H,3-7,16-19H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine?
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine has a molecular weight of 464.65 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine is sourced from PubChem (CID 19684728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).