2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid

C16H17NO5S — CID 70066284

IUPAC2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H17NO5S/c1-2-12-6-3-4-9-15(12)23(20,21)17-13-7-5-8-14(10-13)22-11-16(18)19/h3-10,17H,2,11H2,1H3,(H,18,19)
InChIKeyIJLNVDWQSAMSGX-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.51
Rot. Bonds7

About 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid

2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid (PubChem CID 70066284) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
PubChem CID70066284
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Name2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCCc1ccccc1S(=O)(=O)Nc1cccc(OCC(=O)O)c1
InChIInChI=1S/C16H17NO5S/c1-2-12-6-3-4-9-15(12)23(20,21)17-13-7-5-8-14(10-13)22-11-16(18)19/h3-10,17H,2,11H2,1H3,(H,18,19)
InChIKeyIJLNVDWQSAMSGX-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-benzylphenyl)sulfonylamino]-5-chlorophenoxy]acetic acid
CID 67621095
N-(3-ethoxyphenyl)-2-hydroxybenzenesulfonamide
CID 81241070
2-[3-[(4-chlorophenyl)sulfonylamino]phenoxy]acetic acid
CID 17341772
2-[3-[[butyl(methyl)sulfamoyl]amino]phenoxy]acetic acid
CID 61058722
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
N-(3-ethoxyphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 60534149
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
2-[3-(cyclohexylsulfonylamino)phenoxy]acetic acid
CID 54424546
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
2-[3-[(2-ethylphenyl)methylamino]phenoxy]acetamide
CID 62391235

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid (CID 70066284) is 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid is CCc1ccccc1S(=O)(=O)Nc1cccc(OCC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid?
The InChIKey is IJLNVDWQSAMSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-2-12-6-3-4-9-15(12)23(20,21)17-13-7-5-8-14(10-13)22-11-16(18)19/h3-10,17H,2,11H2,1H3,(H,18,19).
What are the key properties of 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid?
2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid has a molecular weight of 335.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethylphenyl)sulfonylamino]phenoxy]acetic acid is sourced from PubChem (CID 70066284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).