2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid

C16H17NO6S — CID 1260993

IUPAC2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C16H17NO6S/c1-11-3-6-14(22-2)9-15(11)24(20,21)17-12-4-7-13(8-5-12)23-10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyFGLZLWMUWPJZDW-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.27
Rot. Bonds7

About 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid

2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid (PubChem CID 1260993) has the molecular formula C16H17NO6S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid
PubChem CID1260993
Molecular FormulaC16H17NO6S
Molecular Weight351.38 g/mol
Exact Mass351.08
IUPAC Name2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1
InChIInChI=1S/C16H17NO6S/c1-11-3-6-14(22-2)9-15(11)24(20,21)17-12-4-7-13(8-5-12)23-10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19)
InChIKeyFGLZLWMUWPJZDW-UHFFFAOYSA-N
XLogP2.27
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid (CID 1260993) is 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid is COc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid?
The InChIKey is FGLZLWMUWPJZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO6S/c1-11-3-6-14(22-2)9-15(11)24(20,21)17-12-4-7-13(8-5-12)23-10-16(18)19/h3-9,17H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid?
2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid has a molecular weight of 351.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methoxy-2-methylphenyl)sulfonylamino]phenoxy]acetic acid is sourced from PubChem (CID 1260993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).