1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine

C17H22FN5O2S — CID 113028878

IUPAC1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H22FN5O2S/c1-21(2)26(24,25)20-17-8-7-16(13-19-17)23-11-9-22(10-12-23)15-5-3-14(18)4-6-15/h3-8,13H,9-12H2,1-2H3,(H,19,20)
InChIKeyZQTKDWAAQFDTHH-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.77
Rot. Bonds5

About 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine

1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine (PubChem CID 113028878) has the molecular formula C17H22FN5O2S and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
PubChem CID113028878
Molecular FormulaC17H22FN5O2S
Molecular Weight379.46 g/mol
Exact Mass379.15
IUPAC Name1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine
SMILESCN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H22FN5O2S/c1-21(2)26(24,25)20-17-8-7-16(13-19-17)23-11-9-22(10-12-23)15-5-3-14(18)4-6-15/h3-8,13H,9-12H2,1-2H3,(H,19,20)
InChIKeyZQTKDWAAQFDTHH-UHFFFAOYSA-N
XLogP1.77
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylsulfamoylamino)-5-pyrrolidin-1-ylpyridine
CID 113024377
1-(2,3-dimethylphenyl)-4-[6-(dimethylsulfamoylamino)-3-pyridinyl]piperazine
CID 113029435
2-(dimethylsulfamoylamino)-5-[(4-fluorophenyl)methylamino]pyridine
CID 113027139
1-[5-(dimethylsulfamoylamino)-2-pyridinyl]-4-(4-methoxyphenyl)piperazine
CID 113016007
1-[4-(dimethylsulfamoylamino)phenyl]-4-methylpiperazine
CID 110756624
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
2-(dimethylsulfamoylamino)-5-(propylamino)pyridine
CID 113023494
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]methanesulfonamide
CID 113024878
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)butanamide
CID 32948870
1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 110756594
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
N-[5-[4-(4-methylpiperazin-1-yl)anilino]-2-pyridinyl]methanesulfonamide
CID 113035788

Frequently Asked Questions

What is the IUPAC name of 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine (CID 113028878) is 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine is CN(C)S(=O)(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is ZQTKDWAAQFDTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2S/c1-21(2)26(24,25)20-17-8-7-16(13-19-17)23-11-9-22(10-12-23)15-5-3-14(18)4-6-15/h3-8,13H,9-12H2,1-2H3,(H,19,20).
What are the key properties of 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine?
1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 379.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dimethylsulfamoylamino)-3-pyridinyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 113028878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).