(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride

C10H13ClO4S — CID 165446004

IUPAC(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
SMILESCCOc1ccc(CS(=O)(=O)Cl)cc1OC
InChIInChI=1S/C10H13ClO4S/c1-3-15-9-5-4-8(6-10(9)14-2)7-16(11,12)13/h4-6H,3,7H2,1-2H3
InChIKeyFIDWEMMNZYWGGJ-UHFFFAOYSA-N
MW264.73 g/mol
LogP2.16
Rot. Bonds5

About (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride

(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride (PubChem CID 165446004) has the molecular formula C10H13ClO4S and a molecular weight of 264.73 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
PubChem CID165446004
Molecular FormulaC10H13ClO4S
Molecular Weight264.73 g/mol
Exact Mass264.02
IUPAC Name(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
SMILESCCOc1ccc(CS(=O)(=O)Cl)cc1OC
InChIInChI=1S/C10H13ClO4S/c1-3-15-9-5-4-8(6-10(9)14-2)7-16(11,12)13/h4-6H,3,7H2,1-2H3
InChIKeyFIDWEMMNZYWGGJ-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
CID 117458194
3-(4-ethyl-2-methoxyphenoxy)-2,2-dimethylpropane-1-sulfonyl chloride
CID 107668926
2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]isoindole-1,3-dione
CID 68612974
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
2-(4-ethoxy-3-methoxyphenyl)-N-ethylethanamine
CID 82643956
1-[(3,4-dimethoxyphenyl)methylsulfonyl]propan-2-amine
CID 81188878
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
4-(chloromethyl)-1,2-diethoxybenzene
CID 2434831

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride (CID 165446004) is (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride is CCOc1ccc(CS(=O)(=O)Cl)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is FIDWEMMNZYWGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO4S/c1-3-15-9-5-4-8(6-10(9)14-2)7-16(11,12)13/h4-6H,3,7H2,1-2H3.
What are the key properties of (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride?
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 264.73 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 165446004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).