5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide

C12H16BrFN2O4S — CID 65388620

IUPAC5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
SMILESCOCCCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16BrFN2O4S/c1-20-5-3-2-4-16-12(17)9-6-8(13)7-10(11(9)14)21(15,18)19/h6-7H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyRYXZTPPWDANSLD-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.39
Rot. Bonds7

About 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide

5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide (PubChem CID 65388620) has the molecular formula C12H16BrFN2O4S and a molecular weight of 383.24 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
PubChem CID65388620
Molecular FormulaC12H16BrFN2O4S
Molecular Weight383.24 g/mol
Exact Mass382.00
IUPAC Name5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
SMILESCOCCCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C12H16BrFN2O4S/c1-20-5-3-2-4-16-12(17)9-6-8(13)7-10(11(9)14)21(15,18)19/h6-7H,2-5H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyRYXZTPPWDANSLD-UHFFFAOYSA-N
XLogP1.39
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.39
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-(3-methoxypropyl)-3-sulfamoylbenzamide
CID 63931433
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65386494
propyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
CID 65382220
5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
CID 65373691
4-bromo-2-fluoro-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65368260
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
N-(3-methoxypropyl)-2-sulfamoylbenzamide
CID 43164716
2,4-dichloro-N-(3-methoxypropyl)-5-sulfamoylbenzamide
CID 60636009
5-bromo-2-methyl-N-propyl-3-sulfamoylbenzamide
CID 65375922
N-(3-aminobutyl)-5-bromo-2-fluoro-3-methylsulfonylbenzamide;hydrochloride
CID 119497735
5-bromo-2-chloro-N-(2-propan-2-yloxyethyl)-3-sulfamoylbenzamide
CID 104766693
5-fluoro-2-hydroxy-N-(4-methoxybutyl)benzamide
CID 79523733

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide (CID 65388620) is 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide is COCCCCNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide?
The InChIKey is RYXZTPPWDANSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O4S/c1-20-5-3-2-4-16-12(17)9-6-8(13)7-10(11(9)14)21(15,18)19/h6-7H,2-5H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide?
5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide has a molecular weight of 383.24 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65388620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).