N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide

C16H18FNO4S — CID 35300449

IUPACN-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO4S/c1-21-10-11-22-14-6-8-15(9-7-14)23(19,20)18-12-13-4-2-3-5-16(13)17/h2-9,18H,10-12H2,1H3
InChIKeyJCIUGAIFDOIOSH-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.33
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide

N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 35300449) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID35300449
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCOc1ccc(S(=O)(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C16H18FNO4S/c1-21-10-11-22-14-6-8-15(9-7-14)23(19,20)18-12-13-4-2-3-5-16(13)17/h2-9,18H,10-12H2,1H3
InChIKeyJCIUGAIFDOIOSH-UHFFFAOYSA-N
XLogP2.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35389739
4-(2-methoxyethoxy)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35299415
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
1-N-[(2-fluorophenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 1455204
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
N-[2-(2-fluorophenyl)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 35613709
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
4-(ethylaminomethyl)-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28715737
N-[(2-fluorophenyl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22203173
N-[(2-fluorophenyl)methyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110409686
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide (CID 35300449) is N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide is COCCOc1ccc(S(=O)(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is JCIUGAIFDOIOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-21-10-11-22-14-6-8-15(9-7-14)23(19,20)18-12-13-4-2-3-5-16(13)17/h2-9,18H,10-12H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide?
N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 35300449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).