N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide

C9H11F2NO2S — CID 47121816

IUPACN-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO2S/c1-6(12-15(2,13)14)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3
InChIKeyJYSZTYUAZGIYFG-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.58
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide

N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide (PubChem CID 47121816) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
PubChem CID47121816
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C9H11F2NO2S/c1-6(12-15(2,13)14)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3
InChIKeyJYSZTYUAZGIYFG-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61051043
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 134017266
N-[3-[1-(3,4-difluorophenyl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 78797689
N-[(1S)-1-(3-methylphenyl)ethyl]methanesulfonamide
CID 81360320
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutan-2-amine
CID 43131289
N-[1-(3,4-difluorophenyl)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 65044459
5-[1-(3,4-difluorophenyl)ethylsulfamoyl]-2-methylbenzamide
CID 46406560

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide (CID 47121816) is N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide?
The InChIKey is JYSZTYUAZGIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-6(12-15(2,13)14)7-3-4-8(10)9(11)5-7/h3-6,12H,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide?
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide has a molecular weight of 235.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 47121816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).