N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide

C18H21FN3O3S+ — CID 4150837

IUPACN-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c1-14(23)20-16-4-8-18(9-5-16)26(24,25)22-12-10-21(11-13-22)17-6-2-15(19)3-7-17/h2-9H,10-13H2,1H3,(H,20,23)/p+1
InChIKeyMXNXINAYNKDNNT-UHFFFAOYSA-O
MW378.45 g/mol
LogP1.00
Rot. Bonds4

About N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide (PubChem CID 4150837) has the molecular formula C18H21FN3O3S+ and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
PubChem CID4150837
Molecular FormulaC18H21FN3O3S+
Molecular Weight378.45 g/mol
Exact Mass378.13
IUPAC NameN-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H20FN3O3S/c1-14(23)20-16-4-8-18(9-5-16)26(24,25)22-12-10-21(11-13-22)17-6-2-15(19)3-7-17/h2-9H,10-13H2,1H3,(H,20,23)/p+1
InChIKeyMXNXINAYNKDNNT-UHFFFAOYSA-O
XLogP1.00
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
1-(4-chlorophenyl)sulfonyl-4-(4-fluorophenyl)piperazin-4-ium chloride
CID 18531569
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
N-(4-acetamidophenyl)-4-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 6970253
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
N-[4-[4-[(4-fluorophenyl)methoxyimino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 26070513
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide (CID 4150837) is N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC[NH+](c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide?
The InChIKey is MXNXINAYNKDNNT-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H20FN3O3S/c1-14(23)20-16-4-8-18(9-5-16)26(24,25)22-12-10-21(11-13-22)17-6-2-15(19)3-7-17/h2-9H,10-13H2,1H3,(H,20,23)/p+1.
What are the key properties of N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 4150837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).