N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide

C20H22F3N3O3S — CID 69167156

IUPACN-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESNCC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)17-12-15(14-4-2-1-3-5-14)6-7-18(17)30(28,29)25-16-8-10-26(11-9-16)19(27)13-24/h1-7,12,16,25H,8-11,13,24H2
InChIKeyCPMRFPZOYUOAPZ-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.60
Rot. Bonds5

About N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide

N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 69167156) has the molecular formula C20H22F3N3O3S and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
PubChem CID69167156
Molecular FormulaC20H22F3N3O3S
Molecular Weight441.48 g/mol
Exact Mass441.13
IUPAC NameN-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
SMILESNCC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C20H22F3N3O3S/c21-20(22,23)17-12-15(14-4-2-1-3-5-14)6-7-18(17)30(28,29)25-16-8-10-26(11-9-16)19(27)13-24/h1-7,12,16,25H,8-11,13,24H2
InChIKeyCPMRFPZOYUOAPZ-UHFFFAOYSA-N
XLogP2.60
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3R)-3-(2,2-dimethylpropanoyl)pyrrolidine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 87719950
N-[1-[6-(dimethylamino)pyridine-3-carbonyl]piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide
CID 69166772
4-[[4-(2,6-dimethylphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154079643
(5S)-N-tert-butyl-2-oxo-5-[4-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 69196628
4-[[4-(2-methoxyphenyl)-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154281676
2-[[2-[[4-phenyl-2-(trifluoromethyl)phenyl]sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetamide
CID 25025868
2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone
CID 67479866
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
4-[[4-methoxy-2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 154237982
5-(benzenesulfonyl)-N-[1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 25187115
N-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 87719666
N-[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-4-(2-propoxyphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 87719694

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide (CID 69167156) is N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide is NCC(=O)N1CCC(NS(=O)(=O)c2ccc(-c3ccccc3)cc2C(F)(F)F)CC1.
What is the InChIKey of N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CPMRFPZOYUOAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3S/c21-20(22,23)17-12-15(14-4-2-1-3-5-14)6-7-18(17)30(28,29)25-16-8-10-26(11-9-16)19(27)13-24/h1-7,12,16,25H,8-11,13,24H2.
What are the key properties of N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide?
N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 441.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoacetyl)piperidin-4-yl]-4-phenyl-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69167156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).