N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide

C18H22FNO4S — CID 110601561

IUPACN-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2ccccc2F)cc1OC
InChIInChI=1S/C18H22FNO4S/c1-23-17-11-10-15(13-18(17)24-2)25(21,22)20-12-6-5-8-14-7-3-4-9-16(14)19/h3-4,7,9-11,13,20H,5-6,8,12H2,1-2H3
InChIKeyXOAWNYWUHKTYDR-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.14
Rot. Bonds9

About N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide

N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 110601561) has the molecular formula C18H22FNO4S and a molecular weight of 367.44 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID110601561
Molecular FormulaC18H22FNO4S
Molecular Weight367.44 g/mol
Exact Mass367.13
IUPAC NameN-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCCCc2ccccc2F)cc1OC
InChIInChI=1S/C18H22FNO4S/c1-23-17-11-10-15(13-18(17)24-2)25(21,22)20-12-6-5-8-14-7-3-4-9-16(14)19/h3-4,7,9-11,13,20H,5-6,8,12H2,1-2H3
InChIKeyXOAWNYWUHKTYDR-UHFFFAOYSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide 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

3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide
CID 42388939
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
N-[2-(4-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 30365751
3-[(3,4-dimethoxyphenyl)sulfonylamino]propyl-diethylazanium
CID 9263864
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
3-fluoro-4-methoxy-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 92680028
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide (CID 110601561) is N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCCCc2ccccc2F)cc1OC.
What is the InChIKey of N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is XOAWNYWUHKTYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO4S/c1-23-17-11-10-15(13-18(17)24-2)25(21,22)20-12-6-5-8-14-7-3-4-9-16(14)19/h3-4,7,9-11,13,20H,5-6,8,12H2,1-2H3.
What are the key properties of N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide?
N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 367.44 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110601561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).