N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide

C14H14N2O4S — CID 4800474

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H14N2O4S/c1-2-21(19,20)11-3-4-13(17)12(9-11)16-14(18)10-5-7-15-8-6-10/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeyIPIARLNVTPXMOK-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.83
Rot. Bonds4

About N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide (PubChem CID 4800474) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide
PubChem CID4800474
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccncc2)c1
InChIInChI=1S/C14H14N2O4S/c1-2-21(19,20)11-3-4-13(17)12(9-11)16-14(18)10-5-7-15-8-6-10/h3-9,17H,2H2,1H3,(H,16,18)
InChIKeyIPIARLNVTPXMOK-UHFFFAOYSA-N
XLogP1.83
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide (CID 4800474) is N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccncc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide?
The InChIKey is IPIARLNVTPXMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-2-21(19,20)11-3-4-13(17)12(9-11)16-14(18)10-5-7-15-8-6-10/h3-9,17H,2H2,1H3,(H,16,18).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide has a molecular weight of 306.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4800474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).