2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride

C9H10Cl2O3S — CID 82160163

IUPAC2-(3-chloro-4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOC1=C(C=C(C=C1)CCS(=O)(=O)Cl)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-14-9-3-2-7(6-8(9)10)4-5-15(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyFYXZIOZXBBBFTB-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.90
Rot. Bonds4

About 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride

2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride (PubChem CID 82160163) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride
PubChem CID82160163
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.14 g/mol
Exact Mass267.97
IUPAC Name2-(3-chloro-4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOC1=C(C=C(C=C1)CCS(=O)(=O)Cl)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-14-9-3-2-7(6-8(9)10)4-5-15(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeyFYXZIOZXBBBFTB-UHFFFAOYSA-N
XLogP2.90
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity286

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9947111
3-Chloro-4-methoxytoluene
CID 140873
(4-methoxyphenyl) (E)-2-(3-chlorophenyl)ethenesulfonate
CID 155513109
1-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylmethyl]-4-methoxybenzene
CID 22065292
2-(4-Methoxyphenyl)ethane-1-sulfonyl chloride
CID 13237409
3-Chloro-4-methoxybenzyl chloride
CID 11159814
(5-Chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 47003152
1-chloro-4-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethyl]benzene
CID 145987175
(E)-2-(5-chloro-2-methoxyphenyl)ethenesulfonyl fluoride
CID 155539158
3-Chloro-4,4'-dimethoxybiphenyl
CID 58270167
Benzene, 2-chloro-1-ethoxy-4-methyl-
CID 111561
(E)-2-chloro-2-(4-methoxyphenyl)ethenesulfonyl fluoride
CID 164668938

Frequently Asked Questions

What is the IUPAC name of 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride?
The IUPAC name of 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride (CID 82160163) is 2-(3-chloro-4-methoxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride?
The canonical SMILES for 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride is COC1=C(C=C(C=C1)CCS(=O)(=O)Cl)Cl.
What is the InChIKey of 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride?
The InChIKey is FYXZIOZXBBBFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c1-14-9-3-2-7(6-8(9)10)4-5-15(11,12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride?
2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride has a molecular weight of 269.14 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-Chloro-4-methoxyphenyl)ethane-1-sulfonyl chloride is sourced from PubChem (CID 82160163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).