N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide

C16H22F2N2O3S2 — CID 38817744

IUPACN-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C16H22F2N2O3S2/c1-2-11-25(22,23)19-13-7-9-20(10-8-13)15(21)12-3-5-14(6-4-12)24-16(17)18/h3-6,13,16,19H,2,7-11H2,1H3
InChIKeyZTEHLZUMUUPHKJ-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.94
Rot. Bonds7

About N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 38817744) has the molecular formula C16H22F2N2O3S2 and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID38817744
Molecular FormulaC16H22F2N2O3S2
Molecular Weight392.49 g/mol
Exact Mass392.10
IUPAC NameN-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1
InChIInChI=1S/C16H22F2N2O3S2/c1-2-11-25(22,23)19-13-7-9-20(10-8-13)15(21)12-3-5-14(6-4-12)24-16(17)18/h3-6,13,16,19H,2,7-11H2,1H3
InChIKeyZTEHLZUMUUPHKJ-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
[4-[4-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 32772704
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655289
N-[1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655242
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
N-[1-[4-(4-bromopyrazol-1-yl)benzoyl]piperidin-4-yl]propane-1-sulfonamide
CID 34354125
[4-(methylamino)piperidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119563784
N-[1-(3-methyl-4-nitrobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820600
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 108563505
N-[1-(2-aminobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119944714

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide (CID 38817744) is N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)c2ccc(SC(F)F)cc2)CC1.
What is the InChIKey of N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is ZTEHLZUMUUPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O3S2/c1-2-11-25(22,23)19-13-7-9-20(10-8-13)15(21)12-3-5-14(6-4-12)24-16(17)18/h3-6,13,16,19H,2,7-11H2,1H3.
What are the key properties of N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 392.49 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethylsulfanyl)benzoyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 38817744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).