5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride

C12H11ClO3S2 — CID 23445479

IUPAC5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(COCc2ccccc2)s1
InChIInChI=1S/C12H11ClO3S2/c13-18(14,15)12-7-6-11(17-12)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyYJCKTIDJVDQPER-UHFFFAOYSA-N
MW302.80 g/mol
LogP3.39
Rot. Bonds5

About 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride

5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride (PubChem CID 23445479) has the molecular formula C12H11ClO3S2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride
PubChem CID23445479
Molecular FormulaC12H11ClO3S2
Molecular Weight302.80 g/mol
Exact Mass301.98
IUPAC Name5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(COCc2ccccc2)s1
InChIInChI=1S/C12H11ClO3S2/c13-18(14,15)12-7-6-11(17-12)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyYJCKTIDJVDQPER-UHFFFAOYSA-N
XLogP3.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride (CID 23445479) is 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc(COCc2ccccc2)s1.
What is the InChIKey of 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride?
The InChIKey is YJCKTIDJVDQPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3S2/c13-18(14,15)12-7-6-11(17-12)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride?
5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride has a molecular weight of 302.80 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylmethoxymethyl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 23445479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).