N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide

C15H21F3N2O3S — CID 8824051

IUPACN-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O3S/c16-15(17,18)23-13-5-7-14(8-6-13)24(21,22)19-9-4-12-20-10-2-1-3-11-20/h5-8,19H,1-4,9-12H2
InChIKeyDKGAYCITOSVHFG-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.74
Rot. Bonds7

About N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 8824051) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID8824051
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC NameN-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O3S/c16-15(17,18)23-13-5-7-14(8-6-13)24(21,22)19-9-4-12-20-10-2-1-3-11-20/h5-8,19H,1-4,9-12H2
InChIKeyDKGAYCITOSVHFG-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
N-(3-oxo-3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 27658627
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 21091956
4-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62989950
4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
N-[4-[2-(cyclohexylamino)ethylamino]butyl]-4-(trifluoromethoxy)benzenesulfonamide;dihydrochloride
CID 139937507
N-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 47034075
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzenesulfonamide
CID 110445870
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 8824051) is N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCCN1CCCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DKGAYCITOSVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c16-15(17,18)23-13-5-7-14(8-6-13)24(21,22)19-9-4-12-20-10-2-1-3-11-20/h5-8,19H,1-4,9-12H2.
What are the key properties of N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 8824051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).