4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide

C13H18BrFN2O3S — CID 65388148

IUPAC4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCCN(CC(C)C)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C13H18BrFN2O3S/c1-4-17(7-8(2)3)13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyVKIKCUFOXCKHKK-UHFFFAOYSA-N
MW381.27 g/mol
LogP2.35
Rot. Bonds5

About 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide

4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide (PubChem CID 65388148) has the molecular formula C13H18BrFN2O3S and a molecular weight of 381.27 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
PubChem CID65388148
Molecular FormulaC13H18BrFN2O3S
Molecular Weight381.27 g/mol
Exact Mass380.02
IUPAC Name4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide
SMILESCCN(CC(C)C)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1F
InChIInChI=1S/C13H18BrFN2O3S/c1-4-17(7-8(2)3)13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20)
InChIKeyVKIKCUFOXCKHKK-UHFFFAOYSA-N
XLogP2.35
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371490
4-bromo-2-fluoro-N-methyl-N-(2-methylbutyl)-5-sulfamoylbenzamide
CID 65388350
4-bromo-N,N-diethyl-2-methyl-5-sulfamoylbenzamide
CID 166390787
4-bromo-2-fluoro-N-(3-methylbutyl)-5-sulfamoylbenzamide
CID 65374809
5-bromo-N,N-diethyl-2-fluoro-4-methylbenzamide
CID 146171179
propyl 4-bromo-2-fluoro-5-sulfamoylbenzoate
CID 65379597
N-ethyl-2,3-dimethyl-N-(2-methylpropyl)-5-sulfamoylbenzamide
CID 65387190
2-bromo-5-[ethyl(2-methylpropyl)carbamoyl]-3-fluorobenzenesulfonyl chloride
CID 65372257
N-ethyl-2,4-difluoro-N-methyl-5-sulfamoylbenzamide
CID 65375226
5-amino-2,4-difluoro-N,N-bis(2-methylpropyl)benzamide
CID 61094085
N-ethyl-4-methyl-N-(2-methylpropyl)-5-sulfamoylthiophene-3-carboxamide
CID 79818559
5-amino-2-bromo-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzamide
CID 62816642

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide (CID 65388148) is 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide is CCN(CC(C)C)C(=O)c1cc(S(N)(=O)=O)c(Br)cc1F.
What is the InChIKey of 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide?
The InChIKey is VKIKCUFOXCKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2O3S/c1-4-17(7-8(2)3)13(18)9-5-12(21(16,19)20)10(14)6-11(9)15/h5-6,8H,4,7H2,1-3H3,(H2,16,19,20).
What are the key properties of 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide?
4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide has a molecular weight of 381.27 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-fluoro-N-(2-methylpropyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 65388148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).