3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide

C16H13FO3S — CID 117185570

IUPAC3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)C=C2COc1cccc(F)c1
InChIInChI=1S/C16H13FO3S/c1-11-5-6-15-12(10-21(18,19)16(15)7-11)9-20-14-4-2-3-13(17)8-14/h2-8,10H,9H2,1H3
InChIKeyPBRXBPNLOLYOMM-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.34
Rot. Bonds3

About 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide

3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide (PubChem CID 117185570) has the molecular formula C16H13FO3S and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide
PubChem CID117185570
Molecular FormulaC16H13FO3S
Molecular Weight304.34 g/mol
Exact Mass304.06
IUPAC Name3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide
SMILESCc1ccc2c(c1)S(=O)(=O)C=C2COc1cccc(F)c1
InChIInChI=1S/C16H13FO3S/c1-11-5-6-15-12(10-21(18,19)16(15)7-11)9-20-14-4-2-3-13(17)8-14/h2-8,10H,9H2,1H3
InChIKeyPBRXBPNLOLYOMM-UHFFFAOYSA-N
XLogP3.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide 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

3-[(3-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117177878
6-methyl-3-(phenoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117185564
5-methyl-3-(phenoxymethyl)-1-benzothiophene 1,1-dioxide
CID 117185025
3-[(3-fluorophenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117170658
3-[(3-methoxyphenoxy)methyl]-1-benzothiophene 1,1-dioxide
CID 117170661
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
3-[(4-methoxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-6-ol
CID 117177894
3-[(4-methylphenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-amine
CID 117170668
3-[(3-hydroxyphenoxy)methyl]-1,1-dioxo-1-benzothiophen-4-ol
CID 117170664
2-[(3-fluorophenoxy)methyl]-7-methyl-1-benzothiophene 1,1-dioxide
CID 117186407
2-[2-(3-fluorophenoxy)ethoxy]-5-methylaniline
CID 39361246
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide (CID 117185570) is 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide is Cc1ccc2c(c1)S(=O)(=O)C=C2COc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide?
The InChIKey is PBRXBPNLOLYOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3S/c1-11-5-6-15-12(10-21(18,19)16(15)7-11)9-20-14-4-2-3-13(17)8-14/h2-8,10H,9H2,1H3.
What are the key properties of 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide?
3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide has a molecular weight of 304.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-6-methyl-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 117185570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).