(4-nitrophenyl)sulfonylchloranium

C6H5ClNO4S+ — CID 23587686

IUPAC(4-nitrophenyl)sulfonylchloranium
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)[ClH+])cc1
InChIInChI=1S/C6H5ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4,7H/q+1
InChIKeyGWOWKJHGROFJOA-UHFFFAOYSA-N
MW222.63 g/mol
LogP0.57
Rot. Bonds2

About (4-nitrophenyl)sulfonylchloranium

(4-nitrophenyl)sulfonylchloranium (PubChem CID 23587686) has the molecular formula C6H5ClNO4S+ and a molecular weight of 222.63 g/mol. Its IUPAC name is (4-nitrophenyl)sulfonylchloranium.

Molecular Properties

Compound Name(4-nitrophenyl)sulfonylchloranium
PubChem CID23587686
Molecular FormulaC6H5ClNO4S+
Molecular Weight222.63 g/mol
Exact Mass221.96
IUPAC Name(4-nitrophenyl)sulfonylchloranium
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)[ClH+])cc1
InChIInChI=1S/C6H5ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4,7H/q+1
InChIKeyGWOWKJHGROFJOA-UHFFFAOYSA-N
XLogP0.57
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 50.57
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'}

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Related Compounds

4-nitrobenzenesulfonic acid
CID 160847002
cesium 4-nitrobenzenesulfonate
CID 101283504
1-[(E)-diazomethyl]sulfonyl-4-nitrobenzene
CID 59403771
CID 87359197
CID 87359197
trimethyl-(4-nitrophenyl)sulfonylphosphanium
CID 155358476
1-(disulfanylsulfonyl)-4-nitrobenzene
CID 175845674
1-nitro-4-propan-2-ylsulfonylbenzene
CID 4228077
CID 59711141
CID 59711141
CID 70381437
CID 70381437
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
difluoro-methyl-(4-nitrophenyl)-λ4-sulfane
CID 174821452
N-cyano-4-nitrobenzenesulfonamide
CID 100975639

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)sulfonylchloranium?
The IUPAC name of (4-nitrophenyl)sulfonylchloranium (CID 23587686) is (4-nitrophenyl)sulfonylchloranium.
What is the SMILES notation for (4-nitrophenyl)sulfonylchloranium?
The canonical SMILES for (4-nitrophenyl)sulfonylchloranium is O=[N+]([O-])c1ccc(S(=O)(=O)[ClH+])cc1.
What is the InChIKey of (4-nitrophenyl)sulfonylchloranium?
The InChIKey is GWOWKJHGROFJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClNO4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4,7H/q+1.
What are the key properties of (4-nitrophenyl)sulfonylchloranium?
(4-nitrophenyl)sulfonylchloranium has a molecular weight of 222.63 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)sulfonylchloranium is sourced from PubChem (CID 23587686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).