N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide

C17H23FN2O3S — CID 91903795

IUPACN-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NC1CC1
InChIInChI=1S/C17H23FN2O3S/c18-14-2-1-3-16(12-14)24(22,23)20-10-8-13(9-11-20)4-7-17(21)19-15-5-6-15/h1-3,12-13,15H,4-11H2,(H,19,21)
InChIKeyFHTFULQPFCVATM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.29
Rot. Bonds6

About N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide

N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide (PubChem CID 91903795) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
PubChem CID91903795
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NC1CC1
InChIInChI=1S/C17H23FN2O3S/c18-14-2-1-3-16(12-14)24(22,23)20-10-8-13(9-11-20)4-7-17(21)19-15-5-6-15/h1-3,12-13,15H,4-11H2,(H,19,21)
InChIKeyFHTFULQPFCVATM-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
2-cyclopentyl-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9369541
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951
3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide
CID 162215890
N-cyclopropyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6470268
N-cyclopentyl-2-[(3-fluorophenyl)sulfonylamino]acetamide
CID 154858378

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide (CID 91903795) is N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide is O=C(CCC1CCN(S(=O)(=O)c2cccc(F)c2)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
The InChIKey is FHTFULQPFCVATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-14-2-1-3-16(12-14)24(22,23)20-10-8-13(9-11-20)4-7-17(21)19-15-5-6-15/h1-3,12-13,15H,4-11H2,(H,19,21).
What are the key properties of N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 91903795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).