5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide

C13H18BrFN2O3S — CID 65386494

IUPAC5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18BrFN2O3S/c1-4-7(2)8(3)17-13(18)10-5-9(14)6-11(12(10)15)21(16,19)20/h5-8H,4H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeySGALMBOILPBWBI-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.40
Rot. Bonds5

About 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide

5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide (PubChem CID 65386494) has the molecular formula C13H18BrFN2O3S and a molecular weight of 381.27 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
PubChem CID65386494
Molecular FormulaC13H18BrFN2O3S
Molecular Weight381.27 g/mol
Exact Mass380.02
IUPAC Name5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
SMILESCCC(C)C(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F
InChIInChI=1S/C13H18BrFN2O3S/c1-4-7(2)8(3)17-13(18)10-5-9(14)6-11(12(10)15)21(16,19)20/h5-8H,4H2,1-3H3,(H,17,18)(H2,16,19,20)
InChIKeySGALMBOILPBWBI-UHFFFAOYSA-N
XLogP2.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-methyl-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65389241
propyl 5-bromo-2-fluoro-3-sulfamoylbenzoate
CID 65382220
2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
5-bromo-N-butan-2-yl-2-chloro-3-sulfamoylbenzamide
CID 65373817
5-bromo-2-fluoro-N-(4-methoxybutyl)-3-sulfamoylbenzamide
CID 65388620
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658
5-bromo-2-methyl-N-pentan-3-yl-3-sulfamoylbenzamide
CID 65373125
3-chloro-4-methyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388795
5-bromo-2-fluoro-N,N-dimethyl-3-sulfamoylbenzamide
CID 65373691
2,3-dimethyl-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65387258
2-bromo-4-fluoro-N-propan-2-yl-5-sulfamoylbenzamide
CID 65375937
5-bromo-2-methyl-N-(4-methylpentan-2-yl)-3-sulfamoylbenzamide
CID 65387785

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide (CID 65386494) is 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide is CCC(C)C(C)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
The InChIKey is SGALMBOILPBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O3S/c1-4-7(2)8(3)17-13(18)10-5-9(14)6-11(12(10)15)21(16,19)20/h5-8H,4H2,1-3H3,(H,17,18)(H2,16,19,20).
What are the key properties of 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide?
5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide has a molecular weight of 381.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-methylpentan-2-yl)-3-sulfamoylbenzamide is sourced from PubChem (CID 65386494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).