2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide

C12H17FN2O4S — CID 81478870

IUPAC2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
SMILESCOCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C12H17FN2O4S/c1-8-6-9(20(14,17)18)7-10(11(8)13)12(16)15(2)4-5-19-3/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyYQXZKMXUAPUHKC-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.50
Rot. Bonds5

About 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide

2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide (PubChem CID 81478870) has the molecular formula C12H17FN2O4S and a molecular weight of 304.34 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
PubChem CID81478870
Molecular FormulaC12H17FN2O4S
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC Name2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide
SMILESCOCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C12H17FN2O4S/c1-8-6-9(20(14,17)18)7-10(11(8)13)12(16)15(2)4-5-19-3/h6-7H,4-5H2,1-3H3,(H2,14,17,18)
InChIKeyYQXZKMXUAPUHKC-UHFFFAOYSA-N
XLogP0.50
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-(3-methoxypropyl)-N,3-dimethyl-5-sulfamoylbenzamide
CID 81482028
N-(2-methoxyethyl)-N,2,3-trimethyl-5-sulfamoylbenzamide
CID 65387633
2-fluoro-N,3-dimethyl-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 81480170
N-(2-methoxyethyl)-N,2,4-trimethyl-5-sulfamoylbenzamide
CID 47468920
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976
2-fluoro-3-methyl-N-propan-2-yl-5-sulfamoylbenzamide
CID 81478779
4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 81481655
5-bromo-N-(2-methoxyethyl)-N,2-dimethyl-3-sulfamoylbenzamide
CID 65387443
N-cyclopropyl-2-fluoro-3-methyl-5-sulfamoylbenzamide
CID 81479218
4-methylpentan-2-yl 2-fluoro-3-methyl-5-sulfamoylbenzoate
CID 81479999
2,4-difluoro-5-[2-methoxyethyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370605
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide (CID 81478870) is 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide is COCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(C)c1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide?
The InChIKey is YQXZKMXUAPUHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O4S/c1-8-6-9(20(14,17)18)7-10(11(8)13)12(16)15(2)4-5-19-3/h6-7H,4-5H2,1-3H3,(H2,14,17,18).
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide?
2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide has a molecular weight of 304.34 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-N,3-dimethyl-5-sulfamoylbenzamide is sourced from PubChem (CID 81478870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).