2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide

C12H10N4O6S — CID 14616990

IUPAC2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccncc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O6S/c17-15(18)10-1-2-12(11(7-10)16(19)20)23(21,22)14-8-9-3-5-13-6-4-9/h1-7,14H,8H2
InChIKeyQCADYTWKXNNMMP-UHFFFAOYSA-N
MW338.30 g/mol
LogP1.38
Rot. Bonds6

About 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide

2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 14616990) has the molecular formula C12H10N4O6S and a molecular weight of 338.30 g/mol. Its IUPAC name is 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID14616990
Molecular FormulaC12H10N4O6S
Molecular Weight338.30 g/mol
Exact Mass338.03
IUPAC Name2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccncc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H10N4O6S/c17-15(18)10-1-2-12(11(7-10)16(19)20)23(21,22)14-8-9-3-5-13-6-4-9/h1-7,14H,8H2
InChIKeyQCADYTWKXNNMMP-UHFFFAOYSA-N
XLogP1.38
TPSA145.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dinitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71606096
6-nitro-N-(pyridin-4-ylmethyl)-1H-indole-3-sulfonamide
CID 75437975
3-fluoro-4-nitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 82846618
2,4-dinitrobenzenesulfonohydrazide
CID 12561635
5-chloro-4-nitro-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 80742367
N-[(2-methoxyphenyl)methyl]-2,4-dinitrobenzenesulfonamide
CID 163650882
4-nitro-N-(pyridin-4-ylmethyl)aniline
CID 3927656
(2,4-dinitrophenyl)sulfonylazanide;yttrium
CID 58710597
2-methoxy-N-[(4-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 39619479
2,4-dihydroxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 143109406
1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrochloride
CID 17293373
N-[(4-chlorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 19872494

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 14616990) is 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccncc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is QCADYTWKXNNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O6S/c17-15(18)10-1-2-12(11(7-10)16(19)20)23(21,22)14-8-9-3-5-13-6-4-9/h1-7,14H,8H2.
What are the key properties of 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 338.30 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 14616990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).