N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

C19H19ClF4N2O2S — CID 2810686

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19ClF4N2O2S/c20-17-2-1-3-18(21)16(17)12-26-10-8-14(9-11-26)25-29(27,28)15-6-4-13(5-7-15)19(22,23)24/h1-7,14,25H,8-12H2
InChIKeyKNYFLHLOVOXWHW-UHFFFAOYSA-N
MW450.89 g/mol
LogP4.44
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 2810686) has the molecular formula C19H19ClF4N2O2S and a molecular weight of 450.89 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID2810686
Molecular FormulaC19H19ClF4N2O2S
Molecular Weight450.89 g/mol
Exact Mass450.08
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19ClF4N2O2S/c20-17-2-1-3-18(21)16(17)12-26-10-8-14(9-11-26)25-29(27,28)15-6-4-13(5-7-15)19(22,23)24/h1-7,14,25H,8-12H2
InChIKeyKNYFLHLOVOXWHW-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 2810686) is N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KNYFLHLOVOXWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF4N2O2S/c20-17-2-1-3-18(21)16(17)12-26-10-8-14(9-11-26)25-29(27,28)15-6-4-13(5-7-15)19(22,23)24/h1-7,14,25H,8-12H2.
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 450.89 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2810686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).