N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide

C16H23F3N2O3S — CID 170430331

IUPACN-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C[C@@H]1CCCCN1C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O3S/c1-12(11-13-5-3-4-10-21(13)2)20-25(22,23)15-8-6-14(7-9-15)24-16(17,18)19/h6-9,12-13,20H,3-5,10-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyPYUBPERBNYNCBP-ABLWVSNPSA-N
MW380.43 g/mol
LogP3.13
Rot. Bonds6

About N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 170430331) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID170430331
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC NameN-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C[C@@H]1CCCCN1C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O3S/c1-12(11-13-5-3-4-10-21(13)2)20-25(22,23)15-8-6-14(7-9-15)24-16(17,18)19/h6-9,12-13,20H,3-5,10-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyPYUBPERBNYNCBP-ABLWVSNPSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 104873326
N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154344
N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 78770478
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99903578
N-[(4-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862228
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773
N-[(1S)-1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861924
4-(propan-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24575991
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
4-tert-butyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzenesulfonamide
CID 59344869
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164861811

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide (CID 170430331) is N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide is CC(C[C@@H]1CCCCN1C)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is PYUBPERBNYNCBP-ABLWVSNPSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c1-12(11-13-5-3-4-10-21(13)2)20-25(22,23)15-8-6-14(7-9-15)24-16(17,18)19/h6-9,12-13,20H,3-5,10-11H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-1-methylpiperidin-2-yl]propan-2-yl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 170430331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).