1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone

C19H20F2N2O4S — CID 7670099

IUPAC1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C19H20F2N2O4S/c1-27-16-5-2-14(3-6-16)12-19(24)22-8-10-23(11-9-22)28(25,26)18-13-15(20)4-7-17(18)21/h2-7,13H,8-12H2,1H3
InChIKeyBAJXUWNTCOVEHO-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.05
Rot. Bonds5

About 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 7670099) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID7670099
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C19H20F2N2O4S/c1-27-16-5-2-14(3-6-16)12-19(24)22-8-10-23(11-9-22)28(25,26)18-13-15(20)4-7-17(18)21/h2-7,13H,8-12H2,1H3
InChIKeyBAJXUWNTCOVEHO-UHFFFAOYSA-N
XLogP2.05
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
2-(4-methoxyphenyl)-N-(4-sulfamoylbenzyl)acetamide
CID 4578038
(4-(3-methoxy-5-(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)((1R,2R)-2-(4-(trifluoromethyl)phenyl)cyclopropyl)methanone
CID 42625863
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
1-[4-(2-Fluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 2576575
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
2-(4-Methoxy-phenyl)-1-[4-(3-phenyl-propyl)-piperazin-1-yl]-ethanone
CID 401822
N-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-3-methoxybenzene-1-sulfonamide
CID 984417
3-{4-[(isopropylamino)sulfonyl]phenyl}-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 1006951
1,4-Bis[(4-methoxyphenyl)acetyl]piperazine
CID 1010420
4-methoxy-N-[2-(4-morpholinyl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1092325
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 2296076

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 7670099) is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is BAJXUWNTCOVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-27-16-5-2-14(3-6-16)12-19(24)22-8-10-23(11-9-22)28(25,26)18-13-15(20)4-7-17(18)21/h2-7,13H,8-12H2,1H3.
What are the key properties of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 410.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 7670099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).