3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one

C19H22N2O4S — CID 110644656

IUPAC3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(2)25-16-8-10-17(11-9-16)26(23,24)21-13-12-20-19(22)18(21)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,20,22)
InChIKeyZLPHLUZVZXMKBV-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.34
Rot. Bonds5

About 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one

3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one (PubChem CID 110644656) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
PubChem CID110644656
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one
SMILESCC(C)Oc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(2)25-16-8-10-17(11-9-16)26(23,24)21-13-12-20-19(22)18(21)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,20,22)
InChIKeyZLPHLUZVZXMKBV-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-3-phenylpiperazin-2-one
CID 110419970
3-(3-chlorophenyl)-4-(4-ethoxyphenyl)sulfonylpiperazin-2-one
CID 110656947
3-(2-chlorophenyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazin-2-one
CID 110657437
4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110420326
4-(2-chlorophenyl)sulfonyl-3-phenylpiperazin-2-one
CID 110419985
4-(5-ethylthiophen-2-yl)sulfonyl-3-phenylpiperazin-2-one
CID 110644637
6-(3-oxo-2-phenylpiperazin-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one
CID 110644647
4-(3-chloro-4-methylphenyl)sulfonyl-3-(4-methoxyphenyl)piperazin-2-one
CID 110420458
3-phenyl-4-thiophen-2-ylsulfonylpiperazin-2-one
CID 110419953
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
4-(4-bromophenyl)sulfonyl-3-(3-chlorophenyl)piperazin-2-one
CID 110656893
7-phenyl-4-(4-propan-2-yloxyphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 121192197

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one?
The IUPAC name of 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one (CID 110644656) is 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one.
What is the SMILES notation for 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one?
The canonical SMILES for 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one is CC(C)Oc1ccc(S(=O)(=O)N2CCNC(=O)C2c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one?
The InChIKey is ZLPHLUZVZXMKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(2)25-16-8-10-17(11-9-16)26(23,24)21-13-12-20-19(22)18(21)15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one?
3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one has a molecular weight of 374.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-2-one is sourced from PubChem (CID 110644656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).