2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid

C14H14N2O5S — CID 3235785

IUPAC2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-12-6-4-11(5-7-12)16(10-14(17)18)22(19,20)13-3-2-8-15-9-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFVPLJZLJRUTGQL-UHFFFAOYSA-N
MW322.34 g/mol
LogP1.37
Rot. Bonds6

About 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid

2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid (PubChem CID 3235785) has the molecular formula C14H14N2O5S and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid
PubChem CID3235785
Molecular FormulaC14H14N2O5S
Molecular Weight322.34 g/mol
Exact Mass322.06
IUPAC Name2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C14H14N2O5S/c1-21-12-6-4-11(5-7-12)16(10-14(17)18)22(19,20)13-3-2-8-15-9-13/h2-9H,10H2,1H3,(H,17,18)
InChIKeyFVPLJZLJRUTGQL-UHFFFAOYSA-N
XLogP1.37
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid?
The IUPAC name of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid (CID 3235785) is 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid.
What is the SMILES notation for 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid?
The canonical SMILES for 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid is COc1ccc(N(CC(=O)O)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid?
The InChIKey is FVPLJZLJRUTGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S/c1-21-12-6-4-11(5-7-12)16(10-14(17)18)22(19,20)13-3-2-8-15-9-13/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid?
2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid has a molecular weight of 322.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetic acid is sourced from PubChem (CID 3235785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).