N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide

C16H17F3N2O2S — CID 47006077

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C16H17F3N2O2S/c1-21(2)15(11-4-3-5-12(17)8-11)10-20-24(22,23)16-7-6-13(18)9-14(16)19/h3-9,15,20H,10H2,1-2H3
InChIKeyROOQXNFMZBUTCR-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide (PubChem CID 47006077) has the molecular formula C16H17F3N2O2S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
PubChem CID47006077
Molecular FormulaC16H17F3N2O2S
Molecular Weight358.39 g/mol
Exact Mass358.10
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccc(F)cc1F)c1cccc(F)c1
InChIInChI=1S/C16H17F3N2O2S/c1-21(2)15(11-4-3-5-12(17)8-11)10-20-24(22,23)16-7-6-13(18)9-14(16)19/h3-9,15,20H,10H2,1-2H3
InChIKeyROOQXNFMZBUTCR-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 47025184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860728
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,4-difluorobenzenesulfonamide
CID 40860733
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbenzenesulfonamide
CID 39982559
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 55871022
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]sulfamoyl]-2-methylbenzoic acid
CID 136531082
5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 55353993
4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 47006082
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide (CID 47006077) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccc(F)cc1F)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is ROOQXNFMZBUTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O2S/c1-21(2)15(11-4-3-5-12(17)8-11)10-20-24(22,23)16-7-6-13(18)9-14(16)19/h3-9,15,20H,10H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 358.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 47006077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).