4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide

C19H24FN3O3S — CID 110288174

IUPAC4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
SMILESCOCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H24FN3O3S/c1-26-15-14-22-10-12-23(13-11-22)18-6-4-17(5-7-18)21-27(24,25)19-8-2-16(20)3-9-19/h2-9,21H,10-15H2,1H3
InChIKeyKSFQGJWWBLXIIH-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.39
Rot. Bonds7

About 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide

4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide (PubChem CID 110288174) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
PubChem CID110288174
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
SMILESCOCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C19H24FN3O3S/c1-26-15-14-22-10-12-23(13-11-22)18-6-4-17(5-7-18)21-27(24,25)19-8-2-16(20)3-9-19/h2-9,21H,10-15H2,1H3
InChIKeyKSFQGJWWBLXIIH-UHFFFAOYSA-N
XLogP2.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(methylsulfamoyl)aniline
CID 110627180
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
CID 110627182
4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide
CID 6927654
3-(4-fluorophenyl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]butanamide
CID 110313451
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]-4-methoxybenzenesulfonamide
CID 42635571
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-N'-(2-methoxyethyl)oxamide
CID 42268631
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
N-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]benzenesulfonamide
CID 55956951
4-fluoro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 42767223
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
CID 4890091
4-fluoro-N-[4-(3-methyl-2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666905
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide (CID 110288174) is 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide is COCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide?
The InChIKey is KSFQGJWWBLXIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-26-15-14-22-10-12-23(13-11-22)18-6-4-17(5-7-18)21-27(24,25)19-8-2-16(20)3-9-19/h2-9,21H,10-15H2,1H3.
What are the key properties of 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide?
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide has a molecular weight of 393.48 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 110288174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).