2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

C11H12ClF3N2O3S — CID 65387463

IUPAC2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O3S/c1-2-17(6-11(13,14)15)10(18)8-5-7(21(16,19)20)3-4-9(8)12/h3-5H,2,6H2,1H3,(H2,16,19,20)
InChIKeyFIJADMCNGWYYDR-UHFFFAOYSA-N
MW344.74 g/mol
LogP2.01
Rot. Bonds4

About 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 65387463) has the molecular formula C11H12ClF3N2O3S and a molecular weight of 344.74 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID65387463
Molecular FormulaC11H12ClF3N2O3S
Molecular Weight344.74 g/mol
Exact Mass344.02
IUPAC Name2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC(F)(F)F)C(=O)c1cc(S(N)(=O)=O)ccc1Cl
InChIInChI=1S/C11H12ClF3N2O3S/c1-2-17(6-11(13,14)15)10(18)8-5-7(21(16,19)20)3-4-9(8)12/h3-5H,2,6H2,1H3,(H2,16,19,20)
InChIKeyFIJADMCNGWYYDR-UHFFFAOYSA-N
XLogP2.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.74
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N,N-diethyl-5-sulfamoylbenzamide
CID 47101234
3-amino-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55006686
2-chloro-N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969320
2,4-dichloro-N,N-diethyl-5-sulfamoylbenzamide
CID 60635894
4-chloro-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide;ethane
CID 161395322
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60893071
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78855508
5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 86933981
N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-ethyl-5-methylsulfonylbenzamide
CID 31289717
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 51166063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide (CID 65387463) is 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC(F)(F)F)C(=O)c1cc(S(N)(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is FIJADMCNGWYYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O3S/c1-2-17(6-11(13,14)15)10(18)8-5-7(21(16,19)20)3-4-9(8)12/h3-5H,2,6H2,1H3,(H2,16,19,20).
What are the key properties of 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 344.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 65387463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).