N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C12H17FN2O4S — CID 65387256

IUPACN-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17FN2O4S/c1-3-15(4-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyHSEAXPZBFDZYLU-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.58
Rot. Bonds6

About N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 65387256) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID65387256
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCCN(CCOC)C(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C12H17FN2O4S/c1-3-15(4-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18)
InChIKeyHSEAXPZBFDZYLU-UHFFFAOYSA-N
XLogP0.58
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-3-fluoro-5-sulfamoylbenzamide
CID 65375543
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
N-ethyl-4-(ethylamino)-3,5-difluoro-N-(2-methoxyethyl)benzamide
CID 63185704
2-chloro-N-ethyl-4-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387832
3-bromo-N-(2-chloroethyl)-5-fluoro-N-(2-methoxyethyl)benzamide
CID 113468238
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 65387256) is N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is CCN(CCOC)C(=O)c1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is HSEAXPZBFDZYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-3-15(4-5-19-2)12(16)9-6-10(13)8-11(7-9)20(14,17)18/h6-8H,3-5H2,1-2H3,(H2,14,17,18).
What are the key properties of N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 304.34 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65387256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).