4-(phenylmethoxymethyl)benzenesulfonyl chloride

C14H13ClO3S — CID 11066402

IUPAC4-(phenylmethoxymethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H13ClO3S/c15-19(16,17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMTWJMECTDKEYNJ-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.33
Rot. Bonds5

About 4-(phenylmethoxymethyl)benzenesulfonyl chloride

4-(phenylmethoxymethyl)benzenesulfonyl chloride (PubChem CID 11066402) has the molecular formula C14H13ClO3S and a molecular weight of 296.77 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)benzenesulfonyl chloride
PubChem CID11066402
Molecular FormulaC14H13ClO3S
Molecular Weight296.77 g/mol
Exact Mass296.03
IUPAC Name4-(phenylmethoxymethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(COCc2ccccc2)cc1
InChIInChI=1S/C14H13ClO3S/c15-19(16,17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyMTWJMECTDKEYNJ-UHFFFAOYSA-N
XLogP3.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70513406
dichloromethane;phenylmethoxymethylbenzene
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CID 66734377
CID 66734377
1-(4-chlorosulfonylphenyl)-2-(phenylmethoxymethyl)indole-3-carboxylic acid
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5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride
CID 23445479
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
benzenesulfonyl chloride;iron
CID 174954068
ethane;phenylmethoxymethylbenzene
CID 90943549
4-(2-phenylmethoxyethyl)benzenesulfonamide
CID 70517905
[4-(phenylmethoxymethyl)phenyl] trifluoromethanesulfonate
CID 122380140
4-phenylmethoxy-3-propan-2-ylbenzenesulfonyl chloride
CID 43247067

Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 4-(phenylmethoxymethyl)benzenesulfonyl chloride (CID 11066402) is 4-(phenylmethoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(phenylmethoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(phenylmethoxymethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(COCc2ccccc2)cc1.
What is the InChIKey of 4-(phenylmethoxymethyl)benzenesulfonyl chloride?
The InChIKey is MTWJMECTDKEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3S/c15-19(16,17)14-8-6-13(7-9-14)11-18-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 4-(phenylmethoxymethyl)benzenesulfonyl chloride?
4-(phenylmethoxymethyl)benzenesulfonyl chloride has a molecular weight of 296.77 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 11066402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).