3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide

C11H14N4O4S — CID 67637181

IUPAC3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccnc([N+](=O)[O-])c1N
InChIInChI=1S/C11H14N4O4S/c1-3-7-14(8-4-2)20(18,19)9-5-6-13-11(10(9)12)15(16)17/h3-6H,1-2,7-8,12H2
InChIKeyISAQUPGGISECTC-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.93
Rot. Bonds7

About 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide

3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide (PubChem CID 67637181) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide
PubChem CID67637181
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccnc([N+](=O)[O-])c1N
InChIInChI=1S/C11H14N4O4S/c1-3-7-14(8-4-2)20(18,19)9-5-6-13-11(10(9)12)15(16)17/h3-6H,1-2,7-8,12H2
InChIKeyISAQUPGGISECTC-UHFFFAOYSA-N
XLogP0.93
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide?
The IUPAC name of 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide (CID 67637181) is 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide.
What is the SMILES notation for 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide?
The canonical SMILES for 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide is C=CCN(CC=C)S(=O)(=O)c1ccnc([N+](=O)[O-])c1N.
What is the InChIKey of 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide?
The InChIKey is ISAQUPGGISECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-3-7-14(8-4-2)20(18,19)9-5-6-13-11(10(9)12)15(16)17/h3-6H,1-2,7-8,12H2.
What are the key properties of 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide?
3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide has a molecular weight of 298.32 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-nitro-N,N-bis(prop-2-enyl)pyridine-4-sulfonamide is sourced from PubChem (CID 67637181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).