ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate

C20H24N2O4S — CID 3809262

IUPACethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-2-26-20(23)16-21-12-14-22(15-13-21)27(24,25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyYYGFAGJZHUEUIR-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.22
Rot. Bonds6

About ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate

ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate (PubChem CID 3809262) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate
PubChem CID3809262
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Nameethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O4S/c1-2-26-20(23)16-21-12-14-22(15-13-21)27(24,25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3
InChIKeyYYGFAGJZHUEUIR-UHFFFAOYSA-N
XLogP2.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-(4-butoxyphenyl)sulfonylpiperazin-1-yl]acetate
CID 3781689
1-ethyl-4-(4-phenylphenyl)sulfonylpiperazine
CID 110757634
ethyl 2-[4-(4-pentylphenyl)sulfonylpiperazin-1-yl]acetate
CID 3850951
ethyl 2-(N-[2-[4-(4-phenyldiazenylphenyl)sulfonylpiperazin-1-yl]acetyl]anilino)acetate
CID 91743355
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
ethyl 4-[4-[2-(dibenzylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 4847165
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 8931140
ethyl 2-[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]acetate
CID 3300385
N-(2-amino-2-ethylbutyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119641093
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate (CID 3809262) is ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate is CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate?
The InChIKey is YYGFAGJZHUEUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-26-20(23)16-21-12-14-22(15-13-21)27(24,25)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3.
What are the key properties of ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate?
ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate has a molecular weight of 388.49 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]acetate is sourced from PubChem (CID 3809262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).