N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide

C22H25F3N2O4S — CID 164862580

IUPACN-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25F3N2O4S/c1-2-20(16-6-4-3-5-7-16)21(28)27-14-12-17(13-15-27)26-32(29,30)19-10-8-18(9-11-19)31-22(23,24)25/h3-11,17,20,26H,2,12-15H2,1H3/t20-/m1/s1
InChIKeyVZKBQSYJTWASKH-HXUWFJFHSA-N
MW470.51 g/mol
LogP4.05
Rot. Bonds7

About N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862580) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862580
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC NameN-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1
InChIInChI=1S/C22H25F3N2O4S/c1-2-20(16-6-4-3-5-7-16)21(28)27-14-12-17(13-15-27)26-32(29,30)19-10-8-18(9-11-19)31-22(23,24)25/h3-11,17,20,26H,2,12-15H2,1H3/t20-/m1/s1
InChIKeyVZKBQSYJTWASKH-HXUWFJFHSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-phenylbutanoyl)piperidin-4-yl]piperidin-4-yl]-4-(trifluoromethoxy)benzamide
CID 171684982
(3S,5R)-N-(2,2-diphenylethyl)-5-[[4-(trifluoromethoxy)phenyl]sulfonylamino]piperidine-3-carboxamide
CID 15985002
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119294488
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
N-[2-[4-[(4-ethylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564014
1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71680197
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862580) is N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide is CC[C@@H](C(=O)N1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is VZKBQSYJTWASKH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c1-2-20(16-6-4-3-5-7-16)21(28)27-14-12-17(13-15-27)26-32(29,30)19-10-8-18(9-11-19)31-22(23,24)25/h3-11,17,20,26H,2,12-15H2,1H3/t20-/m1/s1.
What are the key properties of N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 470.51 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).