4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide

C22H23FN4O3S — CID 166203793

IUPAC4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide
SMILESCc1cnn(C2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC2)c1
InChIInChI=1S/C22H23FN4O3S/c1-16-14-24-27(15-16)20-10-12-26(13-11-20)31(29,30)21-8-6-19(7-9-21)25-22(28)17-2-4-18(23)5-3-17/h2-9,14-15,20H,10-13H2,1H3,(H,25,28)
InChIKeyAYDIOZMHMXXLOG-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.61
Rot. Bonds5

About 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide

4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide (PubChem CID 166203793) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide
PubChem CID166203793
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide
SMILESCc1cnn(C2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC2)c1
InChIInChI=1S/C22H23FN4O3S/c1-16-14-24-27(15-16)20-10-12-26(13-11-20)31(29,30)21-8-6-19(7-9-21)25-22(28)17-2-4-18(23)5-3-17/h2-9,14-15,20H,10-13H2,1H3,(H,25,28)
InChIKeyAYDIOZMHMXXLOG-UHFFFAOYSA-N
XLogP3.61
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
N-(4-acetylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 4205224
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-4-fluorobenzamide
CID 16802929
N-[4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 120665514
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide (CID 166203793) is 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide is Cc1cnn(C2CCN(S(=O)(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC2)c1.
What is the InChIKey of 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide?
The InChIKey is AYDIOZMHMXXLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-16-14-24-27(15-16)20-10-12-26(13-11-20)31(29,30)21-8-6-19(7-9-21)25-22(28)17-2-4-18(23)5-3-17/h2-9,14-15,20H,10-13H2,1H3,(H,25,28).
What are the key properties of 4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide?
4-fluoro-N-[4-[4-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.61, 5 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-(4-methylpyrazol-1-yl)piperidin-1-yl]sulfonylphenyl]benzamide is sourced from PubChem (CID 166203793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).