2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid

C19H17NO5S — CID 2385983

IUPAC2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid
SMILESCN(c1ccc(OCC(=O)O)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO5S/c1-20(16-7-9-17(10-8-16)25-13-19(21)22)26(23,24)18-11-6-14-4-2-3-5-15(14)12-18/h2-12H,13H2,1H3,(H,21,22)
InChIKeyGXYIUCDWAOCEOJ-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.13
Rot. Bonds6

About 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid

2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid (PubChem CID 2385983) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid
PubChem CID2385983
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid
SMILESCN(c1ccc(OCC(=O)O)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO5S/c1-20(16-7-9-17(10-8-16)25-13-19(21)22)26(23,24)18-11-6-14-4-2-3-5-15(14)12-18/h2-12H,13H2,1H3,(H,21,22)
InChIKeyGXYIUCDWAOCEOJ-UHFFFAOYSA-N
XLogP3.13
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid (CID 2385983) is 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid is CN(c1ccc(OCC(=O)O)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid?
The InChIKey is GXYIUCDWAOCEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-20(16-7-9-17(10-8-16)25-13-19(21)22)26(23,24)18-11-6-14-4-2-3-5-15(14)12-18/h2-12H,13H2,1H3,(H,21,22).
What are the key properties of 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid?
2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid has a molecular weight of 371.41 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(naphthalen-2-ylsulfonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 2385983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).