2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride

C10H11ClO4S — CID 13106258

IUPAC2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
SMILESCOc1ccc(CC(C)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3
InChIKeyJCEWAIRJQKPKBH-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.75
Rot. Bonds4

About 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride

2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride (PubChem CID 13106258) has the molecular formula C10H11ClO4S and a molecular weight of 262.71 g/mol. Its IUPAC name is 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
PubChem CID13106258
Molecular FormulaC10H11ClO4S
Molecular Weight262.71 g/mol
Exact Mass262.01
IUPAC Name2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride
SMILESCOc1ccc(CC(C)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3
InChIKeyJCEWAIRJQKPKBH-UHFFFAOYSA-N
XLogP1.75
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxyethyl 2-(3-chlorosulfonyl-4-methoxyphenyl)acetate
CID 65374498
5-[2-(butylamino)-2-oxoethyl]-2-methoxybenzenesulfonyl chloride
CID 65367934
5-(2-chloroethyl)-2-methoxybenzenesulfonyl chloride
CID 18700405
2-methoxy-5-[2-(2-methoxypropylamino)-2-oxoethyl]benzenesulfonyl chloride
CID 102701097
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
2-methoxy-4-(2-oxopropyl)benzenesulfonamide
CID 163498161
2-methoxy-N-octyl-5-(2-oxopropyl)benzenesulfonamide
CID 15034440
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
1-(4-tert-butyl-3-methoxyphenyl)propan-2-one
CID 58452209
5-(dihydroxymethyl)-2-methoxybenzenesulfonyl chloride
CID 134424202
2-methoxy-5-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65367764
2-methoxy-5-(pentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65368816

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride (CID 13106258) is 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride is COc1ccc(CC(C)=O)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride?
The InChIKey is JCEWAIRJQKPKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4S/c1-7(12)5-8-3-4-9(15-2)10(6-8)16(11,13)14/h3-4,6H,5H2,1-2H3.
What are the key properties of 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride?
2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride has a molecular weight of 262.71 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-oxopropyl)benzenesulfonyl chloride is sourced from PubChem (CID 13106258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).