1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone

C19H22N2O5S — CID 1147880

IUPAC1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-9-18(10-8-16)27(23,24)21-13-11-20(12-14-21)19(22)15-26-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyNRDDETQQWYZKTQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.61
Rot. Bonds6

About 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone

1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone (PubChem CID 1147880) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone
PubChem CID1147880
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-7-9-18(10-8-16)27(23,24)21-13-11-20(12-14-21)19(22)15-26-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3
InChIKeyNRDDETQQWYZKTQ-UHFFFAOYSA-N
XLogP1.61
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)[2-(morpholin-4-yl)ethyl]sulfonamido]acetamide
CID 10738103
1-[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 717180
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 1210664
2-[4-(3,4-Dimethoxyphenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 3457818
2-[4-(Piperidine-1-sulfonyl)-phenoxy]-1-pyrrolidin-1-yl-ethanone
CID 6459962
N-cyclopropyl-2-[4-(morpholin-4-ylsulfonyl)phenoxy]acetamide
CID 6460491
4-ethoxy-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 6471321
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-(2-morpholin-4-yl-ethyl)-acetamide
CID 6493525
1-Ethyl-4-{[4-(2-methoxyphenoxy)phenyl]sulfonyl}piperazine
CID 1190535
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
1,4-Bis(phenoxyacetyl)piperazine
CID 1008511
4-{4-[4-(Morpholine-4-sulfonyl)phenoxy]benzenesulfonyl}morpholine
CID 1077177

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone (CID 1147880) is 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone?
The InChIKey is NRDDETQQWYZKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-7-9-18(10-8-16)27(23,24)21-13-11-20(12-14-21)19(22)15-26-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone?
1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone has a molecular weight of 390.46 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 1147880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).