methyl 5-chlorosulfonyl-2-methoxybenzoate

C9H9ClO5S — CID 43436733

IUPACmethyl 5-chlorosulfonyl-2-methoxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C9H9ClO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3
InChIKeyYDEWENZFUMWNIM-UHFFFAOYSA-N
MW264.69 g/mol
LogP1.41
Rot. Bonds3

About methyl 5-chlorosulfonyl-2-methoxybenzoate

methyl 5-chlorosulfonyl-2-methoxybenzoate (PubChem CID 43436733) has the molecular formula C9H9ClO5S and a molecular weight of 264.69 g/mol. Its IUPAC name is methyl 5-chlorosulfonyl-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-chlorosulfonyl-2-methoxybenzoate
PubChem CID43436733
Molecular FormulaC9H9ClO5S
Molecular Weight264.69 g/mol
Exact Mass263.99
IUPAC Namemethyl 5-chlorosulfonyl-2-methoxybenzoate
SMILESCOC(=O)c1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C9H9ClO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3
InChIKeyYDEWENZFUMWNIM-UHFFFAOYSA-N
XLogP1.41
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448
3-methoxypropyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65397137
3-methylbutyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65396581
methyl 4-chlorosulfonyl-2-methylbenzoate
CID 54594899
methyl 5-chlorosulfonyl-2-methylsulfanylbenzoate
CID 86075086
methyl 4-chlorosulfonyl-2-formylbenzoate
CID 145116648
methyl 5-chlorosulfonyl-2-(oxan-4-ylmethoxy)benzoate
CID 135352785
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
methyl 4-chlorosulfonyl-2-cyanobenzoate
CID 86630783
4-methoxy-3-[methyl(2,2,2-trifluoroethyl)carbamoyl]benzenesulfonyl chloride
CID 65369997
methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
CID 119989908
3-iodo-4-methoxybenzenesulfonyl chloride
CID 4961876

Frequently Asked Questions

What is the IUPAC name of methyl 5-chlorosulfonyl-2-methoxybenzoate?
The IUPAC name of methyl 5-chlorosulfonyl-2-methoxybenzoate (CID 43436733) is methyl 5-chlorosulfonyl-2-methoxybenzoate.
What is the SMILES notation for methyl 5-chlorosulfonyl-2-methoxybenzoate?
The canonical SMILES for methyl 5-chlorosulfonyl-2-methoxybenzoate is COC(=O)c1cc(S(=O)(=O)Cl)ccc1OC.
What is the InChIKey of methyl 5-chlorosulfonyl-2-methoxybenzoate?
The InChIKey is YDEWENZFUMWNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO5S/c1-14-8-4-3-6(16(10,12)13)5-7(8)9(11)15-2/h3-5H,1-2H3.
What are the key properties of methyl 5-chlorosulfonyl-2-methoxybenzoate?
methyl 5-chlorosulfonyl-2-methoxybenzoate has a molecular weight of 264.69 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chlorosulfonyl-2-methoxybenzoate is sourced from PubChem (CID 43436733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).