N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide

C15H22FN3O3S — CID 146144537

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)CC1CCCCN1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O3S/c16-13-6-4-12(5-7-13)8-9-18-15(20)19-10-2-1-3-14(19)11-23(17,21)22/h4-7,14H,1-3,8-11H2,(H,18,20)(H2,17,21,22)
InChIKeyYKKSBOHAAOGRLR-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.22
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide (PubChem CID 146144537) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
PubChem CID146144537
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide
SMILESNS(=O)(=O)CC1CCCCN1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C15H22FN3O3S/c16-13-6-4-12(5-7-13)8-9-18-15(20)19-10-2-1-3-14(19)11-23(17,21)22/h4-7,14H,1-3,8-11H2,(H,18,20)(H2,17,21,22)
InChIKeyYKKSBOHAAOGRLR-UHFFFAOYSA-N
XLogP1.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62047041
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
CID 18574278
2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108530292
2-[1-[2-(3-fluorophenyl)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371368
N-cyclohexyl-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 75457868
N-(4-fluorophenyl)-2-(hydroxymethyl)azepane-1-carboxamide
CID 116636581
2-[1-(2-sulfamoylethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61203013
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 113140354

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide (CID 146144537) is N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide is NS(=O)(=O)CC1CCCCN1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
The InChIKey is YKKSBOHAAOGRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c16-13-6-4-12(5-7-13)8-9-18-15(20)19-10-2-1-3-14(19)11-23(17,21)22/h4-7,14H,1-3,8-11H2,(H,18,20)(H2,17,21,22).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(sulfamoylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 146144537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).