N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine

C18H21FN2O2S — CID 3977208

IUPACN-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C18H21FN2O2S/c1-14-6-8-16(9-7-14)24(22,23)21-12-10-15(11-13-21)20-18-5-3-2-4-17(18)19/h2-9,15,20H,10-13H2,1H3
InChIKeyZZBGVNIVTYPAHC-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.40
Rot. Bonds4

About N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine

N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 3977208) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID3977208
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C18H21FN2O2S/c1-14-6-8-16(9-7-14)24(22,23)21-12-10-15(11-13-21)20-18-5-3-2-4-17(18)19/h2-9,15,20H,10-13H2,1H3
InChIKeyZZBGVNIVTYPAHC-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-amine
CID 78901348
3-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridin-4-amine
CID 136512662
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
1-(4-methylphenyl)sulfonyl-N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine
CID 24607590
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201
6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
CID 75521032
3,4-difluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 24617746
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-cyclobutyloxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 86970649
N-(2-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559756

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine (CID 3977208) is N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(Nc3ccccc3F)CC2)cc1.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is ZZBGVNIVTYPAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-14-6-8-16(9-7-14)24(22,23)21-12-10-15(11-13-21)20-18-5-3-2-4-17(18)19/h2-9,15,20H,10-13H2,1H3.
What are the key properties of N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 348.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 3977208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).