4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide

C20H24FN3O6S2 — CID 24584236

IUPAC4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H24FN3O6S2/c1-30-14-9-22-31(26,27)18-7-5-16(6-8-18)20(25)23-10-12-24(13-11-23)32(28,29)19-4-2-3-17(21)15-19/h2-8,15,22H,9-14H2,1H3
InChIKeyIUKWMBKMGCEGDI-UHFFFAOYSA-N
MW485.56 g/mol
LogP0.90
Rot. Bonds8

About 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide

4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 24584236) has the molecular formula C20H24FN3O6S2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID24584236
Molecular FormulaC20H24FN3O6S2
Molecular Weight485.56 g/mol
Exact Mass485.11
IUPAC Name4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C20H24FN3O6S2/c1-30-14-9-22-31(26,27)18-7-5-16(6-8-18)20(25)23-10-12-24(13-11-23)32(28,29)19-4-2-3-17(21)15-19/h2-8,15,22H,9-14H2,1H3
InChIKeyIUKWMBKMGCEGDI-UHFFFAOYSA-N
XLogP0.90
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 26558503
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 34840068
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
N-[4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]acetamide
CID 9369475
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 9369509
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
3,4-difluoro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 24546937
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689
[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-(3-fluorophenyl)methanone
CID 39636324
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24981880
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[4-(methylamino)-3-nitrophenyl]methanone
CID 27828010

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide (CID 24584236) is 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is IUKWMBKMGCEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O6S2/c1-30-14-9-22-31(26,27)18-7-5-16(6-8-18)20(25)23-10-12-24(13-11-23)32(28,29)19-4-2-3-17(21)15-19/h2-8,15,22H,9-14H2,1H3.
What are the key properties of 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide?
4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 485.56 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 24584236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).