N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide

C10H13FN2O4S — CID 62588775

IUPACN-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-17-5-4-10(14)13-9-6-7(18(12,15)16)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyMCJZQLBYHVKIST-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.45
Rot. Bonds5

About N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide

N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide (PubChem CID 62588775) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
PubChem CID62588775
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC NameN-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(S(N)(=O)=O)ccc1F
InChIInChI=1S/C10H13FN2O4S/c1-17-5-4-10(14)13-9-6-7(18(12,15)16)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyMCJZQLBYHVKIST-UHFFFAOYSA-N
XLogP0.45
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
N-(2-fluoro-5-sulfamoylphenyl)-3-methylpentanamide
CID 114876358
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 61129967
N-(2-fluoro-4-sulfamoylphenyl)octanamide
CID 43246665
N-(2-fluoro-5-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677323
N-(5-amino-2-fluorophenyl)-3-(3-methoxypropylsulfonyl)propanamide
CID 63857581
N-(2-fluoro-5-sulfamoylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476009
N-(2-fluoro-5-sulfamoylphenyl)-2-methylbenzamide
CID 61129789
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide
CID 9302673

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide?
The IUPAC name of N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide (CID 62588775) is N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide.
What is the SMILES notation for N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide?
The canonical SMILES for N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide is COCCC(=O)Nc1cc(S(N)(=O)=O)ccc1F.
What is the InChIKey of N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide?
The InChIKey is MCJZQLBYHVKIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-17-5-4-10(14)13-9-6-7(18(12,15)16)2-3-8(9)11/h2-3,6H,4-5H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide?
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide has a molecular weight of 276.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide is sourced from PubChem (CID 62588775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).