2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid

C12H12Cl2N2O5S — CID 66756006

IUPAC2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O5S/c13-7-1-2-10(8(14)5-7)22(20,21)16-4-3-15-12(19)9(16)6-11(17)18/h1-2,5,9H,3-4,6H2,(H,15,19)(H,17,18)
InChIKeyIEXLBLTYCLEDAO-UHFFFAOYSA-N
MW367.21 g/mol
LogP0.96
Rot. Bonds4

About 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid

2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid (PubChem CID 66756006) has the molecular formula C12H12Cl2N2O5S and a molecular weight of 367.21 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
PubChem CID66756006
Molecular FormulaC12H12Cl2N2O5S
Molecular Weight367.21 g/mol
Exact Mass365.98
IUPAC Name2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H12Cl2N2O5S/c13-7-1-2-10(8(14)5-7)22(20,21)16-4-3-15-12(19)9(16)6-11(17)18/h1-2,5,9H,3-4,6H2,(H,15,19)(H,17,18)
InChIKeyIEXLBLTYCLEDAO-UHFFFAOYSA-N
XLogP0.96
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2S)-1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1478976
ethyl 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 3767271
2-[1-(5-bromo-4-chlorothiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 80577422
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]methyl]acetamide
CID 25106274
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 143068313
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
CID 103298814
2-(3-oxo-1-pyridin-3-ylsulfonylpiperazin-2-yl)acetic acid
CID 62034595
2-[1-(2-methylpyrazol-3-yl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 104709647
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918
ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 42653788
2-(1-cyclopentylsulfonyl-3-oxopiperazin-2-yl)acetic acid
CID 105360846

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid (CID 66756006) is 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is IEXLBLTYCLEDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O5S/c13-7-1-2-10(8(14)5-7)22(20,21)16-4-3-15-12(19)9(16)6-11(17)18/h1-2,5,9H,3-4,6H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid?
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 367.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 66756006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).