N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide

C21H16N2O3S — CID 134124422

IUPACN-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccn1)C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H16N2O3S/c24-21(23-27(25,26)19-11-5-6-14-22-19)20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-14,20H,(H,23,24)
InChIKeyYJHJLNKXNLFXDI-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.20
Rot. Bonds3

About N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide

N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide (PubChem CID 134124422) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
PubChem CID134124422
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC NameN-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccn1)C1c2ccccc2C=Cc2ccccc21
InChIInChI=1S/C21H16N2O3S/c24-21(23-27(25,26)19-11-5-6-14-22-19)20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-14,20H,(H,23,24)
InChIKeyYJHJLNKXNLFXDI-UHFFFAOYSA-N
XLogP3.20
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-(pyridin-2-ylsulfonylsulfamoyl)acetic acid
CID 118860101
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
(2S)-2-(pyridin-2-ylsulfonylamino)propanoic acid
CID 122069786
4-(pyridin-2-ylsulfonylamino)butanoic acid
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N-propylpyridine-2-sulfonamide
CID 91182516

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide?
The IUPAC name of N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide (CID 134124422) is N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide.
What is the SMILES notation for N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide?
The canonical SMILES for N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide is O=C(NS(=O)(=O)c1ccccn1)C1c2ccccc2C=Cc2ccccc21.
What is the InChIKey of N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide?
The InChIKey is YJHJLNKXNLFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c24-21(23-27(25,26)19-11-5-6-14-22-19)20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-14,20H,(H,23,24).
What are the key properties of N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide?
N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-ylsulfonyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide is sourced from PubChem (CID 134124422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).