4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide

C18H23FN4O3S — CID 31843302

IUPAC4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23FN4O3S/c1-21(12-14-11-20-22(2)13-14)18(24)15-6-7-16(19)17(10-15)27(25,26)23-8-4-3-5-9-23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyABIDQFTZPIMKMJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.01
Rot. Bonds5

About 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide

4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 31843302) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID31843302
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H23FN4O3S/c1-21(12-14-11-20-22(2)13-14)18(24)15-6-7-16(19)17(10-15)27(25,26)23-8-4-3-5-9-23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyABIDQFTZPIMKMJ-UHFFFAOYSA-N
XLogP2.01
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide 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

N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 16331978
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323468
N-[(1-benzylpyrazol-4-yl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 16324867
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]benzohydrazide
CID 24982931
3-[(2-fluorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16323473
4-[(4-Bromopyrazolyl)methyl]phenyl 4-(ethylsulfonyl)piperazinyl ketone
CID 19584923
4-[(1-Benzylpyrazol-4-yl)methyl-methylsulfamoyl]benzamide
CID 27304169
[4-(2,4-Difluorophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 31425892
1-(benzenesulfonyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 31845783
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(methylsulfonylmethyl)benzamide
CID 31846208
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 31853284

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide (CID 31843302) is 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide is CN(Cc1cnn(C)c1)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ABIDQFTZPIMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-21(12-14-11-20-22(2)13-14)18(24)15-6-7-16(19)17(10-15)27(25,26)23-8-4-3-5-9-23/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide?
4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 394.47 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 31843302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).