1-(4-fluorophenyl)sulfonylpiperazin-4-ium

C10H14FN2O2S+ — CID 2063341

IUPAC1-(4-fluorophenyl)sulfonylpiperazin-4-ium
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[NH2+]CC1
InChIInChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2/p+1
InChIKeyKKDHOKJGLSITHN-UHFFFAOYSA-O
MW245.30 g/mol
LogP-0.61
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonylpiperazin-4-ium

1-(4-fluorophenyl)sulfonylpiperazin-4-ium (PubChem CID 2063341) has the molecular formula C10H14FN2O2S+ and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpiperazin-4-ium.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpiperazin-4-ium
PubChem CID2063341
Molecular FormulaC10H14FN2O2S+
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC Name1-(4-fluorophenyl)sulfonylpiperazin-4-ium
SMILESO=S(=O)(c1ccc(F)cc1)N1CC[NH2+]CC1
InChIInChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2/p+1
InChIKeyKKDHOKJGLSITHN-UHFFFAOYSA-O
XLogP-0.61
TPSA53.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
ethane;1-(4-fluorophenyl)sulfonylpiperidin-4-one
CID 143985374
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
1-cyclopentyl-4-(4-fluorophenyl)sulfonylpiperazin-1-ium
CID 4742647
1-(3,5-dichlorophenyl)sulfonyl-4-(4-fluorophenyl)sulfonyl-1,4-diazepane
CID 26544769
1-(4-fluorophenyl)sulfonylpiperidine-4-carbothioamide
CID 39426242
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpiperazin-4-ium?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpiperazin-4-ium (CID 2063341) is 1-(4-fluorophenyl)sulfonylpiperazin-4-ium.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpiperazin-4-ium?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpiperazin-4-ium is O=S(=O)(c1ccc(F)cc1)N1CC[NH2+]CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpiperazin-4-ium?
The InChIKey is KKDHOKJGLSITHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2/p+1.
What are the key properties of 1-(4-fluorophenyl)sulfonylpiperazin-4-ium?
1-(4-fluorophenyl)sulfonylpiperazin-4-ium has a molecular weight of 245.30 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpiperazin-4-ium is sourced from PubChem (CID 2063341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).