(4-phenylmethoxyphenyl) thiophene-2-sulfonate

C17H14O4S2 — CID 26948159

IUPAC(4-phenylmethoxyphenyl) thiophene-2-sulfonate
SMILESO=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C17H14O4S2/c18-23(19,17-7-4-12-22-17)21-16-10-8-15(9-11-16)20-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyUTNAFZLNBTZCLE-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.09
Rot. Bonds6

About (4-phenylmethoxyphenyl) thiophene-2-sulfonate

(4-phenylmethoxyphenyl) thiophene-2-sulfonate (PubChem CID 26948159) has the molecular formula C17H14O4S2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) thiophene-2-sulfonate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) thiophene-2-sulfonate
PubChem CID26948159
Molecular FormulaC17H14O4S2
Molecular Weight346.43 g/mol
Exact Mass346.03
IUPAC Name(4-phenylmethoxyphenyl) thiophene-2-sulfonate
SMILESO=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C17H14O4S2/c18-23(19,17-7-4-12-22-17)21-16-10-8-15(9-11-16)20-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyUTNAFZLNBTZCLE-UHFFFAOYSA-N
XLogP4.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (4-phenylmethoxyphenyl) thiophene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylmethoxyphenyl) benzenesulfonate
CID 7227856
(4-phenylmethoxyphenyl) 4-chlorobenzenesulfonate
CID 2799692
(4-benzamidophenyl) thiophene-2-sulfonate
CID 32937824
2-[(4-phenylmethoxyphenyl)methyl]thiophene
CID 101069381
phenoxymethylbenzene;sulfuric acid
CID 68982967
(2S)-3-methyl-N-(4-phenylmethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41228343
(4-phenylmethoxyphenyl) 5-chloro-2-methoxybenzenesulfonate
CID 2282214
4-phenylmethoxybenzenesulfonic acid;hydrochloride
CID 174829629
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
methyl thiophene-2-sulfonate
CID 56986285
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1,3-bis[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]benzene
CID 139826967

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) thiophene-2-sulfonate?
The IUPAC name of (4-phenylmethoxyphenyl) thiophene-2-sulfonate (CID 26948159) is (4-phenylmethoxyphenyl) thiophene-2-sulfonate.
What is the SMILES notation for (4-phenylmethoxyphenyl) thiophene-2-sulfonate?
The canonical SMILES for (4-phenylmethoxyphenyl) thiophene-2-sulfonate is O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cccs1.
What is the InChIKey of (4-phenylmethoxyphenyl) thiophene-2-sulfonate?
The InChIKey is UTNAFZLNBTZCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4S2/c18-23(19,17-7-4-12-22-17)21-16-10-8-15(9-11-16)20-13-14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of (4-phenylmethoxyphenyl) thiophene-2-sulfonate?
(4-phenylmethoxyphenyl) thiophene-2-sulfonate has a molecular weight of 346.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) thiophene-2-sulfonate is sourced from PubChem (CID 26948159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).