2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide

C11H14BrFN2O4S — CID 63931433

IUPAC2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C11H14BrFN2O4S/c1-19-4-2-3-15-11(16)8-5-7(13)6-9(10(8)12)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyHENCTPRQNWLHRD-UHFFFAOYSA-N
MW369.21 g/mol
LogP1.00
Rot. Bonds6

About 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide

2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide (PubChem CID 63931433) has the molecular formula C11H14BrFN2O4S and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
PubChem CID63931433
Molecular FormulaC11H14BrFN2O4S
Molecular Weight369.21 g/mol
Exact Mass367.98
IUPAC Name2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide
SMILESCOCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br
InChIInChI=1S/C11H14BrFN2O4S/c1-19-4-2-3-15-11(16)8-5-7(13)6-9(10(8)12)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyHENCTPRQNWLHRD-UHFFFAOYSA-N
XLogP1.00
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-fluoro-N-(2-methoxypropyl)-3-sulfamoylbenzamide
CID 102701174
5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
CID 65388620
2-bromo-5-fluoro-3-(pentylcarbamoyl)benzenesulfonyl chloride
CID 65368998
4-bromo-2-fluoro-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368260
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716
2-bromo-5-fluoro-N-(2-methylsulfinylpropyl)-3-sulfamoylbenzamide
CID 115764551
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
2-bromo-5-fluoro-3-(4-methylpentylcarbamoyl)benzenesulfonyl chloride
CID 65397999
2-bromo-5-fluoro-N-hexan-2-yl-3-sulfamoylbenzamide
CID 65387490
3,3-dimethylbutyl 2-bromo-5-fluoro-3-sulfamoylbenzoate
CID 63947582
2-bromo-4-fluoro-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 60668712
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide (CID 63931433) is 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide is COCCCNC(=O)c1cc(F)cc(S(N)(=O)=O)c1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
The InChIKey is HENCTPRQNWLHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O4S/c1-19-4-2-3-15-11(16)8-5-7(13)6-9(10(8)12)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide?
2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide has a molecular weight of 369.21 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(3-methoxypropyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 63931433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).