[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C19H24N2O4S — CID 3554017

IUPAC[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-2-3-5-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)19(22)18-6-4-15-25-18/h4,6-10,15H,2-3,5,11-14H2,1H3
InChIKeyHGCSTPUTWFHMMU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.77
Rot. Bonds6

About [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 3554017) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID3554017
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-2-3-5-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)19(22)18-6-4-15-25-18/h4,6-10,15H,2-3,5,11-14H2,1H3
InChIKeyHGCSTPUTWFHMMU-UHFFFAOYSA-N
XLogP2.77
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 3554017) is [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is CCCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is HGCSTPUTWFHMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-2-3-5-16-7-9-17(10-8-16)26(23,24)21-13-11-20(12-14-21)19(22)18-6-4-15-25-18/h4,6-10,15H,2-3,5,11-14H2,1H3.
What are the key properties of [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 376.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butylphenyl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 3554017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).