2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid

C16H17NO5S — CID 71294674

IUPAC2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid
SMILESCCOC(C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-2-22-15(16(18)19)12-8-10-14(11-9-12)23(20,21)17-13-6-4-3-5-7-13/h3-11,15,17H,2H2,1H3,(H,18,19)
InChIKeyXUJFNWAEYOUDNN-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.65
Rot. Bonds7

About 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid

2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid (PubChem CID 71294674) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid
PubChem CID71294674
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid
SMILESCCOC(C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO5S/c1-2-22-15(16(18)19)12-8-10-14(11-9-12)23(20,21)17-13-6-4-3-5-7-13/h3-11,15,17H,2H2,1H3,(H,18,19)
InChIKeyXUJFNWAEYOUDNN-UHFFFAOYSA-N
XLogP2.65
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-phenylbenzenesulfonamide
CID 87026098
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
(2R)-N-methyl-2-[4-(phenylsulfamoyl)phenoxy]propanamide
CID 92513136
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-butoxy-N-phenylbenzenesulfonamide
CID 3597057
[2-(N-ethylanilino)-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 2512714
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
2-phenoxy-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 4939919
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid?
The IUPAC name of 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid (CID 71294674) is 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid?
The canonical SMILES for 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid is CCOC(C(=O)O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid?
The InChIKey is XUJFNWAEYOUDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-2-22-15(16(18)19)12-8-10-14(11-9-12)23(20,21)17-13-6-4-3-5-7-13/h3-11,15,17H,2H2,1H3,(H,18,19).
What are the key properties of 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid?
2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid has a molecular weight of 335.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid is sourced from PubChem (CID 71294674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).