N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

C17H17F3N2O4S — CID 46656593

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccco1)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-3-1-4-14(11-12)27(24,25)21-13-6-8-22(9-7-13)16(23)15-5-2-10-26-15/h1-5,10-11,13,21H,6-9H2
InChIKeySWEKHVVWPXIODP-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 46656593) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID46656593
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccco1)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H17F3N2O4S/c18-17(19,20)12-3-1-4-14(11-12)27(24,25)21-13-6-8-22(9-7-13)16(23)15-5-2-10-26-15/h1-5,10-11,13,21H,6-9H2
InChIKeySWEKHVVWPXIODP-UHFFFAOYSA-N
XLogP2.88
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyridine-3-sulfonamide
CID 24627279
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
N-[1-(furan-2-carbonyl)piperidin-4-yl]-1-phenylmethanesulfonamide
CID 110820123
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
N-[1-(furan-2-carbonyl)piperidin-4-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46553202
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 71846455
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504418
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71961640
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 55702827
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
(3S,5R)-5-[[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-3-carboxylic acid
CID 69065013
1,3-oxazol-2-yl-[4-[2-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-yl]piperidin-1-yl]methanone
CID 25256194

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 46656593) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is O=C(c1ccco1)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SWEKHVVWPXIODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c18-17(19,20)12-3-1-4-14(11-12)27(24,25)21-13-6-8-22(9-7-13)16(23)15-5-2-10-26-15/h1-5,10-11,13,21H,6-9H2.
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 402.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 46656593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).