4-chloro-2-formylbenzenesulfonyl chloride

C7H4Cl2O3S — CID 174946793

IUPAC4-chloro-2-formylbenzenesulfonyl chloride
SMILESO=Cc1cc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H4Cl2O3S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-4H
InChIKeyLABFXAFIEWZWRH-UHFFFAOYSA-N
MW239.08 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-2-formylbenzenesulfonyl chloride

4-chloro-2-formylbenzenesulfonyl chloride (PubChem CID 174946793) has the molecular formula C7H4Cl2O3S and a molecular weight of 239.08 g/mol. Its IUPAC name is 4-chloro-2-formylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-formylbenzenesulfonyl chloride
PubChem CID174946793
Molecular FormulaC7H4Cl2O3S
Molecular Weight239.08 g/mol
Exact Mass237.93
IUPAC Name4-chloro-2-formylbenzenesulfonyl chloride
SMILESO=Cc1cc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H4Cl2O3S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-4H
InChIKeyLABFXAFIEWZWRH-UHFFFAOYSA-N
XLogP2.08
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-chlorosulfonylbenzenesulfonic acid
CID 174481870
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
4-chloro-2-cyclopropylbenzenesulfonyl chloride
CID 87439161
2-benzoyl-4-chlorobenzenesulfonyl chloride
CID 2756600
4-chloro-6-formylbenzene-1,3-disulfonic acid
CID 163702283
(4-chloro-2-formylphenyl) trifluoromethanesulfonate
CID 11737792
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
5-chloro-2-cyclopropylbenzenesulfonyl chloride
CID 138040169
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
2-bromo-3-cyano-4-formylbenzenesulfonyl chloride
CID 131417541
2-benzyl-5-chlorobenzaldehyde
CID 121230690
5-chloro-2-(2,4-difluorophenyl)benzaldehyde
CID 66158909

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-formylbenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-formylbenzenesulfonyl chloride (CID 174946793) is 4-chloro-2-formylbenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-formylbenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-formylbenzenesulfonyl chloride is O=Cc1cc(Cl)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-2-formylbenzenesulfonyl chloride?
The InChIKey is LABFXAFIEWZWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O3S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-4H.
What are the key properties of 4-chloro-2-formylbenzenesulfonyl chloride?
4-chloro-2-formylbenzenesulfonyl chloride has a molecular weight of 239.08 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-formylbenzenesulfonyl chloride is sourced from PubChem (CID 174946793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).