2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid

C16H19N3O4S — CID 166387777

IUPAC2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C16H19N3O4S/c1-3-24(22,23)19-14-6-4-13(5-7-14)18-11(2)15-10-12(16(20)21)8-9-17-15/h4-11,18-19H,3H2,1-2H3,(H,20,21)
InChIKeyWPZJWSMSYYPGQR-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.71
Rot. Bonds7

About 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid

2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid (PubChem CID 166387777) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid
PubChem CID166387777
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid
SMILESCCS(=O)(=O)Nc1ccc(NC(C)c2cc(C(=O)O)ccn2)cc1
InChIInChI=1S/C16H19N3O4S/c1-3-24(22,23)19-14-6-4-13(5-7-14)18-11(2)15-10-12(16(20)21)8-9-17-15/h4-11,18-19H,3H2,1-2H3,(H,20,21)
InChIKeyWPZJWSMSYYPGQR-UHFFFAOYSA-N
XLogP2.71
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid (CID 166387777) is 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid is CCS(=O)(=O)Nc1ccc(NC(C)c2cc(C(=O)O)ccn2)cc1.
What is the InChIKey of 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid?
The InChIKey is WPZJWSMSYYPGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-3-24(22,23)19-14-6-4-13(5-7-14)18-11(2)15-10-12(16(20)21)8-9-17-15/h4-11,18-19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid?
2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(ethylsulfonylamino)anilino]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 166387777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).