1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine

C16H21FN4O2S — CID 120715285

IUPAC1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)C1
InChIInChI=1S/C16H21FN4O2S/c1-12-9-19-21(10-12)16-6-5-14(8-15(16)17)24(22,23)20-7-3-4-13(11-20)18-2/h5-6,8-10,13,18H,3-4,7,11H2,1-2H3
InChIKeyKLCIZHBWGDQJKT-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.69
Rot. Bonds4

About 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine

1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine (PubChem CID 120715285) 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]sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine
PubChem CID120715285
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC Name1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)C1
InChIInChI=1S/C16H21FN4O2S/c1-12-9-19-21(10-12)16-6-5-14(8-15(16)17)24(22,23)20-7-3-4-13(11-20)18-2/h5-6,8-10,13,18H,3-4,7,11H2,1-2H3
InChIKeyKLCIZHBWGDQJKT-UHFFFAOYSA-N
XLogP1.69
TPSA67.23 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 75431072
1-(4-bromo-3-fluorophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715271
N-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714757
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-(4-methylpyrazol-1-yl)benzenesulfonamide
CID 119986182
1-[3-(dimethylamino)-4-methylphenyl]sulfonyl-N-methylpiperidin-3-amine
CID 120714488
3-fluoro-N-(2-methylpiperidin-3-yl)-4-(4-methylpyrazol-1-yl)benzenesulfonamide;hydrochloride
CID 120726749
N-methyl-1-(4-methylsulfanylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714741
1-(1,3-benzodioxol-5-ylsulfonyl)-N-methylpiperidin-3-amine
CID 110868407
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
methyl 2-methyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120715034

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine (CID 120715285) is 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)C1.
What is the InChIKey of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is KLCIZHBWGDQJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-12-9-19-21(10-12)16-6-5-14(8-15(16)17)24(22,23)20-7-3-4-13(11-20)18-2/h5-6,8-10,13,18H,3-4,7,11H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine?
1-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 352.44 g/mol, XLogP of 1.69, 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]sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 120715285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).