4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide

C9H10BrFN2O3S — CID 65374812

IUPAC4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
SMILESCCNC(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H10BrFN2O3S/c1-2-13-9(14)5-3-6(11)8(10)7(4-5)17(12,15)16/h3-4H,2H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyVKNGGLVGXHZOJM-UHFFFAOYSA-N
MW325.16 g/mol
LogP0.99
Rot. Bonds3

About 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide

4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide (PubChem CID 65374812) has the molecular formula C9H10BrFN2O3S and a molecular weight of 325.16 g/mol. Its IUPAC name is 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
PubChem CID65374812
Molecular FormulaC9H10BrFN2O3S
Molecular Weight325.16 g/mol
Exact Mass323.96
IUPAC Name4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide
SMILESCCNC(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C9H10BrFN2O3S/c1-2-13-9(14)5-3-6(11)8(10)7(4-5)17(12,15)16/h3-4H,2H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyVKNGGLVGXHZOJM-UHFFFAOYSA-N
XLogP0.99
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 65374272
4-bromo-3-fluoro-N-(3-methylpentan-3-yl)-5-sulfamoylbenzamide
CID 106331541
4-bromo-N-(cyclopropylmethyl)-3-fluoro-5-sulfamoylbenzamide
CID 65373308
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
4-bromo-N-butan-2-yl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65386993
2-ethoxyethyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65381249
3-methoxypropyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65382042
3-methylbutyl 4-bromo-3-fluoro-5-sulfamoylbenzoate
CID 65380255
3-fluoro-4-methoxy-N-pentyl-5-sulfamoylbenzamide
CID 65373435
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
N-ethyl-4-sulfamoylbenzamide;N-methylmethanamine
CID 68596264

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide?
The IUPAC name of 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide (CID 65374812) is 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide.
What is the SMILES notation for 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide?
The canonical SMILES for 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide is CCNC(=O)c1cc(F)c(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide?
The InChIKey is VKNGGLVGXHZOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFN2O3S/c1-2-13-9(14)5-3-6(11)8(10)7(4-5)17(12,15)16/h3-4H,2H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide?
4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide has a molecular weight of 325.16 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-3-fluoro-5-sulfamoylbenzamide is sourced from PubChem (CID 65374812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).