4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide

C26H28FN3O4S — CID 2942380

IUPAC4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H28FN3O4S/c27-22-6-8-23(9-7-22)29-16-18-30(19-17-29)26(31)20-34-24-10-12-25(13-11-24)35(32,33)28-15-14-21-4-2-1-3-5-21/h1-13,28H,14-20H2
InChIKeyPACXXHKVLMVJSC-UHFFFAOYSA-N
MW497.59 g/mol
LogP3.07
Rot. Bonds9

About 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 2942380) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID2942380
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Name4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H28FN3O4S/c27-22-6-8-23(9-7-22)29-16-18-30(19-17-29)26(31)20-34-24-10-12-25(13-11-24)35(32,33)28-15-14-21-4-2-1-3-5-21/h1-13,28H,14-20H2
InChIKeyPACXXHKVLMVJSC-UHFFFAOYSA-N
XLogP3.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126201913
N-[(2R)-butan-2-yl]-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126210865
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 126139757
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethanone
CID 45374724
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126211914
N-cyclopentyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 45374149
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 27125800
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890263
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 126202255
4-fluoro-N-[3-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55956692
3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-N-(2-phenylethyl)propanamide
CID 108947922
1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-(4-phenylmethoxyphenoxy)ethanone
CID 71904291

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide (CID 2942380) is 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide is O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is PACXXHKVLMVJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c27-22-6-8-23(9-7-22)29-16-18-30(19-17-29)26(31)20-34-24-10-12-25(13-11-24)35(32,33)28-15-14-21-4-2-1-3-5-21/h1-13,28H,14-20H2.
What are the key properties of 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide?
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 497.59 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2942380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).