N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide

C10H11Cl2F2NO2S — CID 166376489

IUPACN-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2F2NO2S/c1-2-18(16,17)15-6-10(13,14)7-3-4-8(11)9(12)5-7/h3-5,15H,2,6H2,1H3
InChIKeyJMLACYMUNULRBM-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.02
Rot. Bonds5

About N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide

N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide (PubChem CID 166376489) has the molecular formula C10H11Cl2F2NO2S and a molecular weight of 318.17 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide
PubChem CID166376489
Molecular FormulaC10H11Cl2F2NO2S
Molecular Weight318.17 g/mol
Exact Mass316.99
IUPAC NameN-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(F)(F)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2F2NO2S/c1-2-18(16,17)15-6-10(13,14)7-3-4-8(11)9(12)5-7/h3-5,15H,2,6H2,1H3
InChIKeyJMLACYMUNULRBM-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-1-amine
CID 83108459
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]propan-2-amine
CID 83108581
1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
2-(4-tert-butyl-3-chlorophenyl)-2,2-difluoro-N-methylethanamine
CID 105424776
2-(3-bromo-4-chlorophenyl)-2,2-difluoro-N-methylethanamine;hydrochloride
CID 167739763
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855
2-(3,4-dichlorophenyl)-N,N-diethyl-2,2-difluoroacetamide
CID 46914855
1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
CID 110613248
N-(2-amino-2-methylpropyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988016
N-tert-butyl-2-(3,4-dichlorophenyl)-2-ethylbutan-1-amine
CID 63510234
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063486
3-[(3,4-dichlorophenyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071355

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide (CID 166376489) is N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide is CCS(=O)(=O)NCC(F)(F)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide?
The InChIKey is JMLACYMUNULRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2F2NO2S/c1-2-18(16,17)15-6-10(13,14)7-3-4-8(11)9(12)5-7/h3-5,15H,2,6H2,1H3.
What are the key properties of N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide?
N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide has a molecular weight of 318.17 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-2,2-difluoroethyl]ethanesulfonamide is sourced from PubChem (CID 166376489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).