N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide

C14H21FN2O3S — CID 60892692

IUPACN-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCC2CCNCC2)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-20-14-3-2-12(10-13(14)15)17-21(18,19)9-6-11-4-7-16-8-5-11/h2-3,10-11,16-17H,4-9H2,1H3
InChIKeyUIQIIEXOCYYYPD-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.97
Rot. Bonds6

About N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide

N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide (PubChem CID 60892692) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
PubChem CID60892692
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CCC2CCNCC2)cc1F
InChIInChI=1S/C14H21FN2O3S/c1-20-14-3-2-12(10-13(14)15)17-21(18,19)9-6-11-4-7-16-8-5-11/h2-3,10-11,16-17H,4-9H2,1H3
InChIKeyUIQIIEXOCYYYPD-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
N-(4-methoxy-2-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 62871000
4-[(3-fluoro-4-methoxyphenyl)sulfamoyl]butanoic acid
CID 43380723
4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115211522
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 104779838
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
CID 114839213
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
N-(3-fluoro-4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 55151531
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115047411
4-ethyl-N-(3-fluoro-4-methoxyphenyl)piperidine-2-carboxamide
CID 114428053

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide (CID 60892692) is N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide is COc1ccc(NS(=O)(=O)CCC2CCNCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide?
The InChIKey is UIQIIEXOCYYYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-20-14-3-2-12(10-13(14)15)17-21(18,19)9-6-11-4-7-16-8-5-11/h2-3,10-11,16-17H,4-9H2,1H3.
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide?
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide is sourced from PubChem (CID 60892692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).