2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid

C17H19NO5S — CID 846547

IUPAC2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-3-23-16-7-5-4-6-15(16)18(12-17(19)20)24(21,22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyRZFZYQPXQKVPTM-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.67
Rot. Bonds7

About 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid (PubChem CID 846547) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid
PubChem CID846547
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Name2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid
SMILESCCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S/c1-3-23-16-7-5-4-6-15(16)18(12-17(19)20)24(21,22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKeyRZFZYQPXQKVPTM-UHFFFAOYSA-N
XLogP2.67
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The IUPAC name of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid (CID 846547) is 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The canonical SMILES for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid is CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
The InChIKey is RZFZYQPXQKVPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-23-16-7-5-4-6-15(16)18(12-17(19)20)24(21,22)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid?
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid has a molecular weight of 349.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetic acid is sourced from PubChem (CID 846547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).