3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride

C11H14Cl2O3S — CID 65130631

IUPAC3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride
SMILESCC(COCc1cccc(Cl)c1)CS(=O)(=O)Cl
InChIInChI=1S/C11H14Cl2O3S/c1-9(8-17(13,14)15)6-16-7-10-3-2-4-11(12)5-10/h2-5,9H,6-8H2,1H3
InChIKeyPXNQNKXYGDKIRC-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.06
Rot. Bonds6

About 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride

3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride (PubChem CID 65130631) has the molecular formula C11H14Cl2O3S and a molecular weight of 297.20 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride
PubChem CID65130631
Molecular FormulaC11H14Cl2O3S
Molecular Weight297.20 g/mol
Exact Mass296.00
IUPAC Name3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride
SMILESCC(COCc1cccc(Cl)c1)CS(=O)(=O)Cl
InChIInChI=1S/C11H14Cl2O3S/c1-9(8-17(13,14)15)6-16-7-10-3-2-4-11(12)5-10/h2-5,9H,6-8H2,1H3
InChIKeyPXNQNKXYGDKIRC-UHFFFAOYSA-N
XLogP3.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-chlorophenyl)methanesulfonyl chloride
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1-[(3-bromo-2-phenylpropoxy)methyl]-3-chlorobenzene
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N-[2-[(3-chlorophenyl)methoxy]ethyl]-3-methylbutan-1-amine
CID 65125757
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
1-[[(2S)-3-(benzenesulfonyl)-2-methylpropoxy]methyl]-4-methoxybenzene
CID 10903767
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
2-(3-chlorophenyl)-3-phenylmethoxypropan-1-ol
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(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride (CID 65130631) is 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride is CC(COCc1cccc(Cl)c1)CS(=O)(=O)Cl.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride?
The InChIKey is PXNQNKXYGDKIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2O3S/c1-9(8-17(13,14)15)6-16-7-10-3-2-4-11(12)5-10/h2-5,9H,6-8H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride?
3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride has a molecular weight of 297.20 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 65130631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).