1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one

C19H22N2O5S — CID 4741575

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
SMILESO=C(CCOc1cccc(O)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O5S/c22-16-5-4-6-17(15-16)26-14-9-19(23)20-10-12-21(13-11-20)27(24,25)18-7-2-1-3-8-18/h1-8,15,22H,9-14H2
InChIKeyDUDWDVDRNGQEMB-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.69
Rot. Bonds6

About 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one

1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one (PubChem CID 4741575) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
PubChem CID4741575
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
SMILESO=C(CCOc1cccc(O)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C19H22N2O5S/c22-16-5-4-6-17(15-16)26-14-9-19(23)20-10-12-21(13-11-20)27(24,25)18-7-2-1-3-8-18/h1-8,15,22H,9-14H2
InChIKeyDUDWDVDRNGQEMB-UHFFFAOYSA-N
XLogP1.69
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
1-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-1-one
CID 108569435
3-(3-bromophenoxy)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 26865839
4-(3-phenoxypropanoyl)piperazine-1-sulfonamide
CID 61129937
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(4-tert-butylphenoxy)butan-1-one
CID 16550663
3-(3-hydroxyphenoxy)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 4741215
3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 4739811
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
CID 4739871
4-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]butan-1-one
CID 55337887
1-(4-benzylsulfonylpiperazin-1-yl)-3-(3-methylphenoxy)propan-1-one
CID 9298614
4-(3-hydroxyphenyl)sulfonylpiperazine-1-carboxylic acid
CID 18473250
3-(3-chlorophenoxy)-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 39944808

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one (CID 4741575) is 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one is O=C(CCOc1cccc(O)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one?
The InChIKey is DUDWDVDRNGQEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c22-16-5-4-6-17(15-16)26-14-9-19(23)20-10-12-21(13-11-20)27(24,25)18-7-2-1-3-8-18/h1-8,15,22H,9-14H2.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one?
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one has a molecular weight of 390.46 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one is sourced from PubChem (CID 4741575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).