1-(4-methoxyphenyl)ethanesulfonyl chloride

C9H11ClO3S — CID 114999623

IUPAC1-(4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1ccc(C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-7(14(10,11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
InChIKeyVBPGNYOHPZQLKB-UHFFFAOYSA-N
MW234.70 g/mol
LogP2.32
Rot. Bonds3

About 1-(4-methoxyphenyl)ethanesulfonyl chloride

1-(4-methoxyphenyl)ethanesulfonyl chloride (PubChem CID 114999623) has the molecular formula C9H11ClO3S and a molecular weight of 234.70 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)ethanesulfonyl chloride
PubChem CID114999623
Molecular FormulaC9H11ClO3S
Molecular Weight234.70 g/mol
Exact Mass234.01
IUPAC Name1-(4-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1ccc(C(C)S(=O)(=O)Cl)cc1
InChIInChI=1S/C9H11ClO3S/c1-7(14(10,11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
InChIKeyVBPGNYOHPZQLKB-UHFFFAOYSA-N
XLogP2.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.70
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)ethanesulfonyl chloride
CID 114996226
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
1-(4-methoxyphenyl)ethyl hydrogen sulfate
CID 155167289
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanesulfonyl chloride
CID 114827454
N-[(4-methoxyphenyl)methyl]-4-[(1S)-1-methylsulfonylethyl]aniline
CID 170160231
1-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 107858721
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
N-[1-(4-methoxyphenyl)ethyl]propane-2-sulfonamide
CID 62048746
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
2-(4-methoxyphenoxy)ethanesulfonyl chloride
CID 54594527

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 1-(4-methoxyphenyl)ethanesulfonyl chloride (CID 114999623) is 1-(4-methoxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 1-(4-methoxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 1-(4-methoxyphenyl)ethanesulfonyl chloride is COc1ccc(C(C)S(=O)(=O)Cl)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)ethanesulfonyl chloride?
The InChIKey is VBPGNYOHPZQLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO3S/c1-7(14(10,11)12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)ethanesulfonyl chloride?
1-(4-methoxyphenyl)ethanesulfonyl chloride has a molecular weight of 234.70 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 114999623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).