1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene

C20H17FO3S — CID 162412079

IUPAC1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO3S/c1-24-18-11-7-16(8-12-18)20(15-5-3-2-4-6-15)25(22,23)19-13-9-17(21)10-14-19/h2-14,20H,1H3
InChIKeyHMTNDTNXZIOPDZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.40
Rot. Bonds5

About 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene

1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene (PubChem CID 162412079) has the molecular formula C20H17FO3S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene
PubChem CID162412079
Molecular FormulaC20H17FO3S
Molecular Weight356.42 g/mol
Exact Mass356.09
IUPAC Name1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene
SMILESCOc1ccc(C(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H17FO3S/c1-24-18-11-7-16(8-12-18)20(15-5-3-2-4-6-15)25(22,23)19-13-9-17(21)10-14-19/h2-14,20H,1H3
InChIKeyHMTNDTNXZIOPDZ-UHFFFAOYSA-N
XLogP4.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene 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

1-(Benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene
CID 146026050
1-Methoxy-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10131479
3-(4-Methoxy-benzenesulfonyl)-4-phenyl-butane-1-thiol
CID 19366830
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
CID 3135155
2-Fluoro-4-[2-(4-methanesulfonyl-phenyl)-cyclopent-1-enyl]-1-methoxy-benzene
CID 9902810
4-[2-(3-Fluoro-4-methoxy-phenyl)-cyclopent-1-enyl]-benzenesulfonamide
CID 10269175
4-[4,5-Difluoro-2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10385880
1,2-Difluoro-4-(3-fluoro-4-methoxyphenyl)-5-[4-(methylsulfonyl)phenyl]benzene
CID 10548520
1-Methyl-4-[(4-phenoxyphenyl)sulfonyl]benzene
CID 759355
5-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-spiro[2.4]hept-5-ene
CID 10570135
5-(3-Fluoro-4-methoxy-phenyl)-6-(4-methanesulfonyl-phenyl)-spiro[2.4]hept-5-ene
CID 10571335
6-[4-(Methylsulfonyl)phenyl]-5-[4-(trifluoromethoxy)phenyl]spiro[2.4]hept-5-ene
CID 10597571

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene?
The IUPAC name of 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene (CID 162412079) is 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene?
The canonical SMILES for 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene is COc1ccc(C(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene?
The InChIKey is HMTNDTNXZIOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO3S/c1-24-18-11-7-16(8-12-18)20(15-5-3-2-4-6-15)25(22,23)19-13-9-17(21)10-14-19/h2-14,20H,1H3.
What are the key properties of 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene?
1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene has a molecular weight of 356.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)sulfonyl-phenylmethyl]-4-methoxybenzene is sourced from PubChem (CID 162412079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).