2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid

C13H16N2O5S — CID 43440424

IUPAC2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)CCN2CCNC2=O)cc1
InChIInChI=1S/C13H16N2O5S/c16-12(17)9-10-1-3-11(4-2-10)21(19,20)8-7-15-6-5-14-13(15)18/h1-4H,5-9H2,(H,14,18)(H,16,17)
InChIKeyVRXMTCATMKAGTG-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.11
Rot. Bonds6

About 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid

2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid (PubChem CID 43440424) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid
PubChem CID43440424
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(S(=O)(=O)CCN2CCNC2=O)cc1
InChIInChI=1S/C13H16N2O5S/c16-12(17)9-10-1-3-11(4-2-10)21(19,20)8-7-15-6-5-14-13(15)18/h1-4H,5-9H2,(H,14,18)(H,16,17)
InChIKeyVRXMTCATMKAGTG-UHFFFAOYSA-N
XLogP0.11
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-sulfophenyl)acetic acid
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2-[4-(3-methylbutylsulfonyl)phenyl]acetic acid
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2-[4-[2-(1,3-diazinan-5-yl)ethylsulfonyl]phenyl]acetic acid;ethane
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1-[2-(2-amino-6-chlorophenyl)sulfonylethyl]imidazolidin-2-one
CID 81182694
1-[2-(2-amino-4-bromophenyl)sulfonylethyl]imidazolidin-2-one
CID 81185572
2-[4-[2-(trifluoromethylsulfanyl)ethylsulfonyl]phenyl]acetic acid
CID 116615991
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethylsulfonyl]phenyl]acetic acid
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2-[4-(4-sulfophenyl)phenyl]acetic acid
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N,N-dimethyl-2-(2-oxoimidazolidin-1-yl)ethanesulfonamide
CID 106338296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid (CID 43440424) is 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid is O=C(O)Cc1ccc(S(=O)(=O)CCN2CCNC2=O)cc1.
What is the InChIKey of 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid?
The InChIKey is VRXMTCATMKAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c16-12(17)9-10-1-3-11(4-2-10)21(19,20)8-7-15-6-5-14-13(15)18/h1-4H,5-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid?
2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid has a molecular weight of 312.35 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]phenyl]acetic acid is sourced from PubChem (CID 43440424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).