N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide

C14H15N3O3S — CID 2108328

IUPACN-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-3-1-11(2-4-13)5-10-17-14(18)12-6-8-16-9-7-12/h1-4,6-9H,5,10H2,(H,17,18)(H2,15,19,20)
InChIKeyRNHFJXKKZQLJFK-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.70
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 2108328) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID2108328
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1
InChIInChI=1S/C14H15N3O3S/c15-21(19,20)13-3-1-11(2-4-13)5-10-17-14(18)12-6-8-16-9-7-12/h1-4,6-9H,5,10H2,(H,17,18)(H2,15,19,20)
InChIKeyRNHFJXKKZQLJFK-UHFFFAOYSA-N
XLogP0.70
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide (CID 2108328) is N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is RNHFJXKKZQLJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c15-21(19,20)13-3-1-11(2-4-13)5-10-17-14(18)12-6-8-16-9-7-12/h1-4,6-9H,5,10H2,(H,17,18)(H2,15,19,20).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 2108328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).