ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate

C14H18ClFN2O4S — CID 3816990

IUPACethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H18ClFN2O4S/c1-2-22-14(19)10-17-5-7-18(8-6-17)23(20,21)11-3-4-13(16)12(15)9-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeySIPUONRLVNSWFT-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.35
Rot. Bonds5

About ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate

ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate (PubChem CID 3816990) has the molecular formula C14H18ClFN2O4S and a molecular weight of 364.83 g/mol. Its IUPAC name is ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate
PubChem CID3816990
Molecular FormulaC14H18ClFN2O4S
Molecular Weight364.83 g/mol
Exact Mass364.07
IUPAC Nameethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C14H18ClFN2O4S/c1-2-22-14(19)10-17-5-7-18(8-6-17)23(20,21)11-3-4-13(16)12(15)9-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeySIPUONRLVNSWFT-UHFFFAOYSA-N
XLogP1.35
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]acetic Acid
CID 2124611
Isopropyl {4-[(2,5-dichlorophenyl)sulfonyl]piperazin-1-yl}acetate
CID 3242916
4-chloro-N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 935339
2,5-Dichloro-N-methyl-N-(2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 1083005
2,5-dichloro-N-ethyl-N-[2-(morpholin-4-yl)-2-oxoethyl]benzenesulfonamide
CID 2988286
2-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-1-morpholin-4-ylethanone
CID 3739910
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide;hydrochloride
CID 16247753
Ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate
CID 4463428
4-((3-Chloro-4-fluorophenyl)sulfonyl)-2,6-dimethylmorpholine
CID 2938439
Ethyl 2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetate
CID 3814856
Ethyl 2-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]acetate
CID 4637500
4-[1-(3-Chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]morpholine
CID 126460869

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate (CID 3816990) is ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate is CCOC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
The InChIKey is SIPUONRLVNSWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O4S/c1-2-22-14(19)10-17-5-7-18(8-6-17)23(20,21)11-3-4-13(16)12(15)9-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate?
ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate has a molecular weight of 364.83 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]acetate is sourced from PubChem (CID 3816990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).