N,N-diethyl-3-fluoro-5-sulfamoylbenzamide

C11H15FN2O3S — CID 65375543

IUPACN,N-diethyl-3-fluoro-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15FN2O3S/c1-3-14(4-2)11(15)8-5-9(12)7-10(6-8)18(13,16)17/h5-7H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyVIBYHLNVCJQJLB-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds4

About N,N-diethyl-3-fluoro-5-sulfamoylbenzamide

N,N-diethyl-3-fluoro-5-sulfamoylbenzamide (PubChem CID 65375543) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-5-sulfamoylbenzamide
PubChem CID65375543
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN,N-diethyl-3-fluoro-5-sulfamoylbenzamide
SMILESCCN(CC)C(=O)c1cc(F)cc(S(N)(=O)=O)c1
InChIInChI=1S/C11H15FN2O3S/c1-3-14(4-2)11(15)8-5-9(12)7-10(6-8)18(13,16)17/h5-7H,3-4H2,1-2H3,(H2,13,16,17)
InChIKeyVIBYHLNVCJQJLB-UHFFFAOYSA-N
XLogP0.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387256
N-ethyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65375225
N-cyclopropyl-3-fluoro-N-propyl-5-sulfamoylbenzamide
CID 65388135
N-ethyl-3-methyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65388918
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-bromo-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65386871
3-chloro-N-ethyl-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387830
3-chloro-N-(2-ethoxyethyl)-N-ethyl-5-sulfamoylbenzamide
CID 65388870
3-chloro-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400421
3-bromo-N-(cyclobutylmethyl)-N-ethyl-5-sulfamoylbenzamide
CID 107400412

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-5-sulfamoylbenzamide?
The IUPAC name of N,N-diethyl-3-fluoro-5-sulfamoylbenzamide (CID 65375543) is N,N-diethyl-3-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for N,N-diethyl-3-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for N,N-diethyl-3-fluoro-5-sulfamoylbenzamide is CCN(CC)C(=O)c1cc(F)cc(S(N)(=O)=O)c1.
What is the InChIKey of N,N-diethyl-3-fluoro-5-sulfamoylbenzamide?
The InChIKey is VIBYHLNVCJQJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-3-14(4-2)11(15)8-5-9(12)7-10(6-8)18(13,16)17/h5-7H,3-4H2,1-2H3,(H2,13,16,17).
What are the key properties of N,N-diethyl-3-fluoro-5-sulfamoylbenzamide?
N,N-diethyl-3-fluoro-5-sulfamoylbenzamide has a molecular weight of 274.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65375543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).