2-(2-nitrophenyl)ethenesulfonyl chloride

C8H6ClNO4S — CID 54483886

IUPAC2-(2-nitrophenyl)ethenesulfonyl chloride
SMILESO=[N+]([O-])c1ccccc1C=CS(=O)(=O)Cl
InChIInChI=1S/C8H6ClNO4S/c9-15(13,14)6-5-7-3-1-2-4-8(7)10(11)12/h1-6H
InChIKeyXQXWFPRYNQBXTD-UHFFFAOYSA-N
MW247.66 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-nitrophenyl)ethenesulfonyl chloride

2-(2-nitrophenyl)ethenesulfonyl chloride (PubChem CID 54483886) has the molecular formula C8H6ClNO4S and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-(2-nitrophenyl)ethenesulfonyl chloride.

Molecular Properties

Compound Name2-(2-nitrophenyl)ethenesulfonyl chloride
PubChem CID54483886
Molecular FormulaC8H6ClNO4S
Molecular Weight247.66 g/mol
Exact Mass246.97
IUPAC Name2-(2-nitrophenyl)ethenesulfonyl chloride
SMILESO=[N+]([O-])c1ccccc1C=CS(=O)(=O)Cl
InChIInChI=1S/C8H6ClNO4S/c9-15(13,14)6-5-7-3-1-2-4-8(7)10(11)12/h1-6H
InChIKeyXQXWFPRYNQBXTD-UHFFFAOYSA-N
XLogP2.13
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 52.13
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

sodium 2-nitrobenzaldehyde
CID 23669302
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
ethane;2-nitrobenzaldehyde
CID 91029364
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
4-[[(E)-2-(2-nitrophenyl)ethenyl]sulfonylmethyl]benzonitrile
CID 22065288
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)ethenesulfonyl chloride?
The IUPAC name of 2-(2-nitrophenyl)ethenesulfonyl chloride (CID 54483886) is 2-(2-nitrophenyl)ethenesulfonyl chloride.
What is the SMILES notation for 2-(2-nitrophenyl)ethenesulfonyl chloride?
The canonical SMILES for 2-(2-nitrophenyl)ethenesulfonyl chloride is O=[N+]([O-])c1ccccc1C=CS(=O)(=O)Cl.
What is the InChIKey of 2-(2-nitrophenyl)ethenesulfonyl chloride?
The InChIKey is XQXWFPRYNQBXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO4S/c9-15(13,14)6-5-7-3-1-2-4-8(7)10(11)12/h1-6H.
What are the key properties of 2-(2-nitrophenyl)ethenesulfonyl chloride?
2-(2-nitrophenyl)ethenesulfonyl chloride has a molecular weight of 247.66 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)ethenesulfonyl chloride is sourced from PubChem (CID 54483886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).