N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide

C16H16Cl2F2N2O2S — CID 164862062

IUPACN-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide
SMILESCN(C)CC(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2F2N2O2S/c1-22(2)9-16(10-3-4-14(17)15(18)5-10)21-25(23,24)13-7-11(19)6-12(20)8-13/h3-8,16,21H,9H2,1-2H3
InChIKeyHGFNLYWPMLHFTF-UHFFFAOYSA-N
MW409.29 g/mol
LogP3.85
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide

N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide (PubChem CID 164862062) has the molecular formula C16H16Cl2F2N2O2S and a molecular weight of 409.29 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide
PubChem CID164862062
Molecular FormulaC16H16Cl2F2N2O2S
Molecular Weight409.29 g/mol
Exact Mass408.03
IUPAC NameN-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide
SMILESCN(C)CC(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2F2N2O2S/c1-22(2)9-16(10-3-4-14(17)15(18)5-10)21-25(23,24)13-7-11(19)6-12(20)8-13/h3-8,16,21H,9H2,1-2H3
InChIKeyHGFNLYWPMLHFTF-UHFFFAOYSA-N
XLogP3.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 164861902
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 164862084
N-[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-phenoxybenzenesulfonamide
CID 164861909
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-pentylbenzenesulfonamide
CID 164862329
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862402
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3-nitro-4-(trifluoromethyl)benzenesulfonamide
CID 164862022
4-(cyclopentylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164862511
N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]naphthalene-1-sulfonamide
CID 164862540
4-(cyclohexylamino)-N-[(1R)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 164861813
4-[[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-N-phenylbenzamide
CID 164861878
methyl 5-[[(1S)-1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]-2-(trifluoromethoxy)benzoate
CID 164862346
N-[1-(3,4-dichlorophenyl)-2-[methyl(pentyl)amino]ethyl]benzenesulfonamide
CID 171593382

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide (CID 164862062) is N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide is CN(C)CC(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide?
The InChIKey is HGFNLYWPMLHFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2F2N2O2S/c1-22(2)9-16(10-3-4-14(17)15(18)5-10)21-25(23,24)13-7-11(19)6-12(20)8-13/h3-8,16,21H,9H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide?
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide has a molecular weight of 409.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 164862062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).