trimethyl-(4-nitrophenyl)sulfonylphosphanium

C9H13NO4PS+ — CID 155358476

IUPACtrimethyl-(4-nitrophenyl)sulfonylphosphanium
SMILESC[P+](C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H13NO4PS/c1-15(2,3)16(13,14)9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3/q+1
InChIKeyNUOMNGCOELQWRV-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.19
Rot. Bonds3

About trimethyl-(4-nitrophenyl)sulfonylphosphanium

trimethyl-(4-nitrophenyl)sulfonylphosphanium (PubChem CID 155358476) has the molecular formula C9H13NO4PS+ and a molecular weight of 262.25 g/mol. Its IUPAC name is trimethyl-(4-nitrophenyl)sulfonylphosphanium.

Molecular Properties

Compound Nametrimethyl-(4-nitrophenyl)sulfonylphosphanium
PubChem CID155358476
Molecular FormulaC9H13NO4PS+
Molecular Weight262.25 g/mol
Exact Mass262.03
IUPAC Nametrimethyl-(4-nitrophenyl)sulfonylphosphanium
SMILESC[P+](C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H13NO4PS/c1-15(2,3)16(13,14)9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3/q+1
InChIKeyNUOMNGCOELQWRV-UHFFFAOYSA-N
XLogP2.19
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
(2S)-2-(4-nitrophenyl)sulfonylpropanoate
CID 2463157
cesium 4-nitrobenzenesulfonate
CID 101283504
4-nitrobenzenesulfonic acid
CID 160847002
(4-nitrophenyl)sulfonylchloranium
CID 23587686
1-(disulfanylsulfonyl)-4-nitrobenzene
CID 175845674
1-[1-(benzenesulfonyl)ethyl]-4-nitrobenzene
CID 4570430
1-(3-bromo-2-methylpropyl)sulfonyl-4-nitrobenzene
CID 64995799
N-(2-methylpropyl)-4-nitrobenzenesulfonamide;hydrochloride
CID 70066584
4-amino-N,N-di(propan-2-yl)benzenesulfonamide;4-nitro-N,N-di(propan-2-yl)benzenesulfonamide
CID 163672209
4-(4-nitrophenyl)sulfonylbutan-2-amine
CID 64645518
N-(1-cyanoethyl)-4-nitrobenzenesulfonamide
CID 61122442

Frequently Asked Questions

What is the IUPAC name of trimethyl-(4-nitrophenyl)sulfonylphosphanium?
The IUPAC name of trimethyl-(4-nitrophenyl)sulfonylphosphanium (CID 155358476) is trimethyl-(4-nitrophenyl)sulfonylphosphanium.
What is the SMILES notation for trimethyl-(4-nitrophenyl)sulfonylphosphanium?
The canonical SMILES for trimethyl-(4-nitrophenyl)sulfonylphosphanium is C[P+](C)(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of trimethyl-(4-nitrophenyl)sulfonylphosphanium?
The InChIKey is NUOMNGCOELQWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4PS/c1-15(2,3)16(13,14)9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3/q+1.
What are the key properties of trimethyl-(4-nitrophenyl)sulfonylphosphanium?
trimethyl-(4-nitrophenyl)sulfonylphosphanium has a molecular weight of 262.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(4-nitrophenyl)sulfonylphosphanium is sourced from PubChem (CID 155358476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).