benzenesulfonyl chloride;iron

C6H5ClFeO2S — CID 174954068

IUPACbenzenesulfonyl chloride;iron
SMILESO=S(=O)(Cl)c1ccccc1.[Fe]
InChIInChI=1S/C6H5ClO2S.Fe/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H;
InChIKeyZFXNDQGXCKVCGV-UHFFFAOYSA-N
MW232.47 g/mol
LogP1.61
Rot. Bonds1

About benzenesulfonyl chloride;iron

benzenesulfonyl chloride;iron (PubChem CID 174954068) has the molecular formula C6H5ClFeO2S and a molecular weight of 232.47 g/mol. Its IUPAC name is benzenesulfonyl chloride;iron.

Molecular Properties

Compound Namebenzenesulfonyl chloride;iron
PubChem CID174954068
Molecular FormulaC6H5ClFeO2S
Molecular Weight232.47 g/mol
Exact Mass231.90
IUPAC Namebenzenesulfonyl chloride;iron
SMILESO=S(=O)(Cl)c1ccccc1.[Fe]
InChIInChI=1S/C6H5ClO2S.Fe/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H;
InChIKeyZFXNDQGXCKVCGV-UHFFFAOYSA-N
XLogP1.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 87647314
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4-(phenylmethoxymethyl)benzenesulfonyl chloride
CID 11066402
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benzenesulfonyl chloride;4-fluoroisoquinoline
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[(chloro-oxo-phenyl-λ6-sulfanylidene)amino]-trimethylsilane
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3-(3-phenylpropyl)benzenesulfonyl chloride
CID 55128748
N-methylaniline;4-methylbenzenesulfonyl chloride
CID 175068196
4-silylbenzenesulfonyl chloride
CID 174005817
4-bromobenzenesulfonyl chloride
CID 174561770
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
CID 8484

Frequently Asked Questions

What is the IUPAC name of benzenesulfonyl chloride;iron?
The IUPAC name of benzenesulfonyl chloride;iron (CID 174954068) is benzenesulfonyl chloride;iron.
What is the SMILES notation for benzenesulfonyl chloride;iron?
The canonical SMILES for benzenesulfonyl chloride;iron is O=S(=O)(Cl)c1ccccc1.[Fe].
What is the InChIKey of benzenesulfonyl chloride;iron?
The InChIKey is ZFXNDQGXCKVCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO2S.Fe/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H;.
What are the key properties of benzenesulfonyl chloride;iron?
benzenesulfonyl chloride;iron has a molecular weight of 232.47 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonyl chloride;iron is sourced from PubChem (CID 174954068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).