4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide

C14H15N3O2S — CID 66407159

IUPAC4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)NCC1Cc2ccccc21
InChIInChI=1S/C14H15N3O2S/c15-13-5-6-16-9-14(13)20(18,19)17-8-11-7-10-3-1-2-4-12(10)11/h1-6,9,11,17H,7-8H2,(H2,15,16)
InChIKeyUASUTSURDIJKJL-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.28
Rot. Bonds4

About 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide

4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide (PubChem CID 66407159) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide
PubChem CID66407159
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide
SMILESNc1ccncc1S(=O)(=O)NCC1Cc2ccccc21
InChIInChI=1S/C14H15N3O2S/c15-13-5-6-16-9-14(13)20(18,19)17-8-11-7-10-3-1-2-4-12(10)11/h1-6,9,11,17H,7-8H2,(H2,15,16)
InChIKeyUASUTSURDIJKJL-UHFFFAOYSA-N
XLogP1.28
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide (CID 66407159) is 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide is Nc1ccncc1S(=O)(=O)NCC1Cc2ccccc21.
What is the InChIKey of 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide?
The InChIKey is UASUTSURDIJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c15-13-5-6-16-9-14(13)20(18,19)17-8-11-7-10-3-1-2-4-12(10)11/h1-6,9,11,17H,7-8H2,(H2,15,16).
What are the key properties of 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide?
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 66407159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).