[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine

C16H21FN4O2S — CID 75431072

IUPAC[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine
SMILESCc1cnn(-c2ccc(S(=O)(=O)N3CCC(CN)CC3)cc2F)c1
InChIInChI=1S/C16H21FN4O2S/c1-12-10-19-21(11-12)16-3-2-14(8-15(16)17)24(22,23)20-6-4-13(9-18)5-7-20/h2-3,8,10-11,13H,4-7,9,18H2,1H3
InChIKeyUPZJVMORGSILEA-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.68
Rot. Bonds4

About [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine

[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine (PubChem CID 75431072) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine
PubChem CID75431072
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC Name[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine
SMILESCc1cnn(-c2ccc(S(=O)(=O)N3CCC(CN)CC3)cc2F)c1
InChIInChI=1S/C16H21FN4O2S/c1-12-10-19-21(11-12)16-3-2-14(8-15(16)17)24(22,23)20-6-4-13(9-18)5-7-20/h2-3,8,10-11,13H,4-7,9,18H2,1H3
InChIKeyUPZJVMORGSILEA-UHFFFAOYSA-N
XLogP1.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120715285
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 119986182
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
CID 120726749
4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylbenzonitrile
CID 106920510
[1-(2,5-difluoro-4-methylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963938
3-fluoro-4-(4-methylpyrazol-1-yl)-N-(3-methylsulfonylpropyl)aniline
CID 84587885
3-fluoro-4-(4-methylpyrazol-1-yl)-N-[1-(oxolan-3-yl)prop-2-ynyl]benzenesulfonamide
CID 102563494
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119963784
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295

Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine (CID 75431072) is [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine is Cc1cnn(-c2ccc(S(=O)(=O)N3CCC(CN)CC3)cc2F)c1.
What is the InChIKey of [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine?
The InChIKey is UPZJVMORGSILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-12-10-19-21(11-12)16-3-2-14(8-15(16)17)24(22,23)20-6-4-13(9-18)5-7-20/h2-3,8,10-11,13H,4-7,9,18H2,1H3.
What are the key properties of [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine?
[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine has a molecular weight of 352.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 75431072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).