2-(2,4-dinitrophenyl)sulfonylnaphthalene

C16H10N2O6S — CID 3090496

IUPAC2-(2,4-dinitrophenyl)sulfonylnaphthalene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10N2O6S/c19-17(20)13-6-8-16(15(10-13)18(21)22)25(23,24)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H
InChIKeyOYQDMDHVLBQKQS-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.49
Rot. Bonds4

About 2-(2,4-dinitrophenyl)sulfonylnaphthalene

2-(2,4-dinitrophenyl)sulfonylnaphthalene (PubChem CID 3090496) has the molecular formula C16H10N2O6S and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)sulfonylnaphthalene.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)sulfonylnaphthalene
PubChem CID3090496
Molecular FormulaC16H10N2O6S
Molecular Weight358.33 g/mol
Exact Mass358.03
IUPAC Name2-(2,4-dinitrophenyl)sulfonylnaphthalene
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1
InChIInChI=1S/C16H10N2O6S/c19-17(20)13-6-8-16(15(10-13)18(21)22)25(23,24)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H
InChIKeyOYQDMDHVLBQKQS-UHFFFAOYSA-N
XLogP3.49
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-dinitro-1-(4-nitrophenyl)sulfonylbenzene
CID 611987
1-nitro-2-(3-nitrophenyl)sulfonylbenzene
CID 4034732
4-(2,4-dinitrophenyl)sulfonyl-N,N-dimethylaniline
CID 4661592
2-(2,4-dinitrophenyl)sulfonylbenzene-1,3-diamine
CID 175087737
1-(2,4-dinitrophenyl)sulfonyl-2,4-dinitrobenzene;1-phenylethanone
CID 87931041
2-[(E)-2-(4-nitrophenyl)sulfonylethenyl]naphthalene
CID 9036194
(2,4-dinitrophenyl)sulfonylazanide;yttrium
CID 58710597
(3-nitrophenyl) naphthalene-2-sulfonate
CID 26947503
methyl 2-[2-(2,4-dinitrophenyl)sulfonylanilino]acetate
CID 18363996
2,4-dinitro-1-(trinitromethylsulfonyl)benzene
CID 71443667
iodo 2,4-dinitrobenzenesulfonate
CID 141193318
2,4-dinitrobenzenesulfonohydrazide
CID 12561635

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)sulfonylnaphthalene?
The IUPAC name of 2-(2,4-dinitrophenyl)sulfonylnaphthalene (CID 3090496) is 2-(2,4-dinitrophenyl)sulfonylnaphthalene.
What is the SMILES notation for 2-(2,4-dinitrophenyl)sulfonylnaphthalene?
The canonical SMILES for 2-(2,4-dinitrophenyl)sulfonylnaphthalene is O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dinitrophenyl)sulfonylnaphthalene?
The InChIKey is OYQDMDHVLBQKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O6S/c19-17(20)13-6-8-16(15(10-13)18(21)22)25(23,24)14-7-5-11-3-1-2-4-12(11)9-14/h1-10H.
What are the key properties of 2-(2,4-dinitrophenyl)sulfonylnaphthalene?
2-(2,4-dinitrophenyl)sulfonylnaphthalene has a molecular weight of 358.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)sulfonylnaphthalene is sourced from PubChem (CID 3090496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).