N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide

C16H23F3N2O2S — CID 3309976

IUPACN-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2S/c1-3-9-21(14-7-10-20(2)11-8-14)24(22,23)15-6-4-5-13(12-15)16(17,18)19/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeyNNXTWCJVYXBHGO-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.20
Rot. Bonds5

About N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide

N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 3309976) has the molecular formula C16H23F3N2O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID3309976
Molecular FormulaC16H23F3N2O2S
Molecular Weight364.43 g/mol
Exact Mass364.14
IUPAC NameN-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2S/c1-3-9-21(14-7-10-20(2)11-8-14)24(22,23)15-6-4-5-13(12-15)16(17,18)19/h4-6,12,14H,3,7-11H2,1-2H3
InChIKeyNNXTWCJVYXBHGO-UHFFFAOYSA-N
XLogP3.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 90607520
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 697906
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791465
N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 42999407
1-(2,6-dimethyl-4-pyridinyl)-3-[2-[4-[ethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 11785825
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
ethyl 3-[4-[propan-2-yl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]propanoate
CID 59161865
ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
3-acetyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119994136
N-benzyl-2-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057766

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide (CID 3309976) is N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide is CCCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NNXTWCJVYXBHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S/c1-3-9-21(14-7-10-20(2)11-8-14)24(22,23)15-6-4-5-13(12-15)16(17,18)19/h4-6,12,14H,3,7-11H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide?
N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3309976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).