N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

C19H18F4N2O3S — CID 55702827

IUPACN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H18F4N2O3S/c20-17-4-2-1-3-16(17)18(26)25-11-9-14(10-12-25)24-29(27,28)15-7-5-13(6-8-15)19(21,22)23/h1-8,14,24H,9-12H2
InChIKeyZIYMTZGEDZDQSW-UHFFFAOYSA-N
MW430.42 g/mol
LogP3.43
Rot. Bonds4

About N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 55702827) has the molecular formula C19H18F4N2O3S and a molecular weight of 430.42 g/mol. Its IUPAC name is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID55702827
Molecular FormulaC19H18F4N2O3S
Molecular Weight430.42 g/mol
Exact Mass430.10
IUPAC NameN-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H18F4N2O3S/c20-17-4-2-1-3-16(17)18(26)25-11-9-14(10-12-25)24-29(27,28)15-7-5-13(6-8-15)19(21,22)23/h1-8,14,24H,9-12H2
InChIKeyZIYMTZGEDZDQSW-UHFFFAOYSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563627
4-ethyl-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108563623
4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564360
N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 31817197
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
4-ethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567273
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
N-[1-(2-cyclobutyloxybenzoyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 86971710
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
4-fluoro-N-[1-[2-[4-(trifluoromethyl)phenoxy]acetyl]piperidin-4-yl]benzenesulfonamide
CID 60511265
(2-fluorophenyl)-[4-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]piperidin-1-yl]methanone
CID 133283279

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 55702827) is N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is O=C(c1ccccc1F)N1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZIYMTZGEDZDQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O3S/c20-17-4-2-1-3-16(17)18(26)25-11-9-14(10-12-25)24-29(27,28)15-7-5-13(6-8-15)19(21,22)23/h1-8,14,24H,9-12H2.
What are the key properties of N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 430.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 55702827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).