N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide

C17H25FN2O3S — CID 53042710

IUPACN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3S/c1-2-13-24(22,23)19-10-7-14-8-11-20(12-9-14)17(21)15-3-5-16(18)6-4-15/h3-6,14,19H,2,7-13H2,1H3
InChIKeyIYTLKEFDCKJJHZ-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.40
Rot. Bonds7

About N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide

N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide (PubChem CID 53042710) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide
PubChem CID53042710
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC NameN-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H25FN2O3S/c1-2-13-24(22,23)19-10-7-14-8-11-20(12-9-14)17(21)15-3-5-16(18)6-4-15/h3-6,14,19H,2,7-13H2,1H3
InChIKeyIYTLKEFDCKJJHZ-UHFFFAOYSA-N
XLogP2.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide (CID 53042710) is N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCC1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide?
The InChIKey is IYTLKEFDCKJJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-2-13-24(22,23)19-10-7-14-8-11-20(12-9-14)17(21)15-3-5-16(18)6-4-15/h3-6,14,19H,2,7-13H2,1H3.
What are the key properties of N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide?
N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorobenzoyl)piperidin-4-yl]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 53042710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).