N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide

C16H23F3N2O3S — CID 47034075

IUPACN-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCC1CCCN(CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C16H23F3N2O3S/c1-13-5-3-9-21(12-13)10-4-8-20-25(22,23)15-7-2-6-14(11-15)24-16(17,18)19/h2,6-7,11,13,20H,3-5,8-10,12H2,1H3
InChIKeyXLKJITXBUFJLQH-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.99
Rot. Bonds7

About N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 47034075) has the molecular formula C16H23F3N2O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID47034075
Molecular FormulaC16H23F3N2O3S
Molecular Weight380.43 g/mol
Exact Mass380.14
IUPAC NameN-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESCC1CCCN(CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C16H23F3N2O3S/c1-13-5-3-9-21(12-13)10-4-8-20-25(22,23)15-7-2-6-14(11-15)24-16(17,18)19/h2,6-7,11,13,20H,3-5,8-10,12H2,1H3
InChIKeyXLKJITXBUFJLQH-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.99
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

N-[2-(3-methylpiperidin-1-yl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55723188
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
N-[3-(methylamino)propyl]-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119965033
N-(3-piperidin-1-ylpropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8824051
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 120723484
3,4-dimethyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]benzenesulfonamide
CID 94081691
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]pyrazole-4-sulfonamide
CID 94081659
4-methoxy-2,6-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94797694
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
3-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100721189

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 47034075) is N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide is CC1CCCN(CCCNS(=O)(=O)c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XLKJITXBUFJLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3S/c1-13-5-3-9-21(12-13)10-4-8-20-25(22,23)15-7-2-6-14(11-15)24-16(17,18)19/h2,6-7,11,13,20H,3-5,8-10,12H2,1H3.
What are the key properties of N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylpiperidin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 47034075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).