N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide

C19H12N4O6S — CID 58174439

IUPACN-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccc4cccnc4c23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12N4O6S/c24-22(25)14-8-9-17(16(11-14)23(26)27)30(28,29)21-15-5-1-3-12-6-7-13-4-2-10-20-19(13)18(12)15/h1-11,21H
InChIKeyVRKJLWGNVRLHFM-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.01
Rot. Bonds5

About N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide

N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide (PubChem CID 58174439) has the molecular formula C19H12N4O6S and a molecular weight of 424.39 g/mol. Its IUPAC name is N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide.

Molecular Properties

Compound NameN-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
PubChem CID58174439
Molecular FormulaC19H12N4O6S
Molecular Weight424.39 g/mol
Exact Mass424.05
IUPAC NameN-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccc4cccnc4c23)c([N+](=O)[O-])c1
InChIInChI=1S/C19H12N4O6S/c24-22(25)14-8-9-17(16(11-14)23(26)27)30(28,29)21-15-5-1-3-12-6-7-13-4-2-10-20-19(13)18(12)15/h1-11,21H
InChIKeyVRKJLWGNVRLHFM-UHFFFAOYSA-N
XLogP4.01
TPSA145.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.01
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
CID 4307070
benzo[h]quinolin-10-yl-(2,4-dinitrophenyl)sulfonylazanide;carbanide;palladium(2+);pyridine
CID 58174438
5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 166208269
N-benzo[h]quinolin-10-yl-4-methoxybenzenesulfonamide
CID 102274855
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
N-(7-chloroquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide
CID 162590752
6,8-dinitroquinoline
CID 11106850
4-methoxy-N-(2-methylquinolin-8-yl)-2-nitrobenzenesulfonamide
CID 23631949
2-chloro-N-(2-chloro-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 60639935
8-(2,4-dinitrophenoxy)quinoline
CID 1422298
2,4-dinitro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 71606096
2,4-dinitrobenzenesulfonohydrazide
CID 12561635

Frequently Asked Questions

What is the IUPAC name of N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide?
The IUPAC name of N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide (CID 58174439) is N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide.
What is the SMILES notation for N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide?
The canonical SMILES for N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3ccc4cccnc4c23)c([N+](=O)[O-])c1.
What is the InChIKey of N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide?
The InChIKey is VRKJLWGNVRLHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O6S/c24-22(25)14-8-9-17(16(11-14)23(26)27)30(28,29)21-15-5-1-3-12-6-7-13-4-2-10-20-19(13)18(12)15/h1-11,21H.
What are the key properties of N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide?
N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide has a molecular weight of 424.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide is sourced from PubChem (CID 58174439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).