N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide

C10H12F2N2O3S — CID 65375226

IUPACN-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCN(C)C(=O)c1cc(S(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C10H12F2N2O3S/c1-3-14(2)10(15)6-4-9(18(13,16)17)8(12)5-7(6)11/h4-5H,3H2,1-2H3,(H2,13,16,17)
InChIKeyQFYGNOUTXMVSDJ-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.70
Rot. Bonds3

About N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide

N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide (PubChem CID 65375226) has the molecular formula C10H12F2N2O3S and a molecular weight of 278.28 g/mol. Its IUPAC name is N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
PubChem CID65375226
Molecular FormulaC10H12F2N2O3S
Molecular Weight278.28 g/mol
Exact Mass278.05
IUPAC NameN-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
SMILESCCN(C)C(=O)c1cc(S(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C10H12F2N2O3S/c1-3-14(2)10(15)6-4-9(18(13,16)17)8(12)5-7(6)11/h4-5H,3H2,1-2H3,(H2,13,16,17)
InChIKeyQFYGNOUTXMVSDJ-UHFFFAOYSA-N
XLogP0.70
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
N-butyl-2-chloro-4-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373674
N-ethyl-2,4-dimethoxy-N-methyl-5-sulfamoylbenzamide
CID 65375421
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988
2,4-difluoro-5-[methyl(2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65371674
4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388148
N-tert-butyl-2,4-difluoro-5-sulfamoylbenzamide
CID 65375638
2,4-difluoro-N-(2-methylsulfinylethyl)-5-sulfamoylbenzamide
CID 113480656
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
5-[butan-2-yl(ethyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65370918
5-fluoro-N-methyl-N-propyl-2-sulfamoylbenzamide
CID 60876962
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide (CID 65375226) is N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide is CCN(C)C(=O)c1cc(S(N)(=O)=O)c(F)cc1F.
What is the InChIKey of N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide?
The InChIKey is QFYGNOUTXMVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3S/c1-3-14(2)10(15)6-4-9(18(13,16)17)8(12)5-7(6)11/h4-5H,3H2,1-2H3,(H2,13,16,17).
What are the key properties of N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide?
N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide has a molecular weight of 278.28 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide is sourced from PubChem (CID 65375226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).