(4-methoxyphenyl)-oxomethanesulfonyl chloride

C8H7ClO4S — CID 21104949

IUPAC(4-methoxyphenyl)-oxomethanesulfonyl chloride
SMILESCOc1ccc(C(=O)S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H7ClO4S/c1-13-7-4-2-6(3-5-7)8(10)14(9,11)12/h2-5H,1H3
InChIKeyDRZBRLVJDCKQAE-UHFFFAOYSA-N
MW234.66 g/mol
LogP1.40
Rot. Bonds2

About (4-methoxyphenyl)-oxomethanesulfonyl chloride

(4-methoxyphenyl)-oxomethanesulfonyl chloride (PubChem CID 21104949) has the molecular formula C8H7ClO4S and a molecular weight of 234.66 g/mol. Its IUPAC name is (4-methoxyphenyl)-oxomethanesulfonyl chloride.

Molecular Properties

Compound Name(4-methoxyphenyl)-oxomethanesulfonyl chloride
PubChem CID21104949
Molecular FormulaC8H7ClO4S
Molecular Weight234.66 g/mol
Exact Mass233.98
IUPAC Name(4-methoxyphenyl)-oxomethanesulfonyl chloride
SMILESCOc1ccc(C(=O)S(=O)(=O)Cl)cc1
InChIInChI=1S/C8H7ClO4S/c1-13-7-4-2-6(3-5-7)8(10)14(9,11)12/h2-5H,1H3
InChIKeyDRZBRLVJDCKQAE-UHFFFAOYSA-N
XLogP1.40
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-methoxybenzoic acid;silver
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(4-methoxybenzoyl)-λ2-stannane
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1-(4-methoxyphenyl)ethanone;hydrochloride
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4-methoxybenzoic acid;hydrobromide
CID 172731707
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
2-chloro-2-iodo-1-(4-methoxyphenyl)-2-methylsulfonylethanone
CID 102549721
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
1-(4-methoxyphenyl)-2-methylsulfonylpropan-1-one
CID 62786269

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-oxomethanesulfonyl chloride?
The IUPAC name of (4-methoxyphenyl)-oxomethanesulfonyl chloride (CID 21104949) is (4-methoxyphenyl)-oxomethanesulfonyl chloride.
What is the SMILES notation for (4-methoxyphenyl)-oxomethanesulfonyl chloride?
The canonical SMILES for (4-methoxyphenyl)-oxomethanesulfonyl chloride is COc1ccc(C(=O)S(=O)(=O)Cl)cc1.
What is the InChIKey of (4-methoxyphenyl)-oxomethanesulfonyl chloride?
The InChIKey is DRZBRLVJDCKQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4S/c1-13-7-4-2-6(3-5-7)8(10)14(9,11)12/h2-5H,1H3.
What are the key properties of (4-methoxyphenyl)-oxomethanesulfonyl chloride?
(4-methoxyphenyl)-oxomethanesulfonyl chloride has a molecular weight of 234.66 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-oxomethanesulfonyl chloride is sourced from PubChem (CID 21104949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).