2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide

C11H12BrFN2O3S — CID 63930591

IUPAC2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)C1CC1
InChIInChI=1S/C11H12BrFN2O3S/c1-15(7-2-3-7)11(16)8-4-6(13)5-9(10(8)12)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeySDURXBQQUYNYPD-UHFFFAOYSA-N
MW351.20 g/mol
LogP1.47
Rot. Bonds3

About 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide

2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide (PubChem CID 63930591) has the molecular formula C11H12BrFN2O3S and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
PubChem CID63930591
Molecular FormulaC11H12BrFN2O3S
Molecular Weight351.20 g/mol
Exact Mass349.97
IUPAC Name2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide
SMILESCN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)C1CC1
InChIInChI=1S/C11H12BrFN2O3S/c1-15(7-2-3-7)11(16)8-4-6(13)5-9(10(8)12)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18)
InChIKeySDURXBQQUYNYPD-UHFFFAOYSA-N
XLogP1.47
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373323
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 63929752
4-chloro-N-cyclopropyl-2-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65373711
4-bromo-3-chloro-N-cyclopropyl-N-methyl-5-sulfamoylbenzamide
CID 81290579
5-chloro-N-cyclopropyl-2-fluoro-N-methyl-3-sulfamoylbenzamide
CID 65373518
2-bromo-5-fluoro-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 63933947
N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 65374096
2-bromo-N-(1-cyclopropylethyl)-5-fluoro-3-sulfamoylbenzamide
CID 63933111
2-cyclopropylethyl 2-bromo-5-fluoro-3-sulfamoylbenzoate
CID 103715086
2-bromo-N-(2,2-dimethylcyclopropyl)-5-fluoro-3-sulfamoylbenzamide
CID 63932506
2-chloro-N-cyclopropyl-3-fluoro-N-methyl-5-sulfamoylbenzamide
CID 81454116
3-amino-N-(4,4-dimethylcyclohexyl)-2,5-difluoro-N-methylbenzamide
CID 107121249

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide (CID 63930591) is 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide is CN(C(=O)c1cc(F)cc(S(N)(=O)=O)c1Br)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide?
The InChIKey is SDURXBQQUYNYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O3S/c1-15(7-2-3-7)11(16)8-4-6(13)5-9(10(8)12)19(14,17)18/h4-5,7H,2-3H2,1H3,(H2,14,17,18).
What are the key properties of 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide?
2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide has a molecular weight of 351.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-5-fluoro-N-methyl-3-sulfamoylbenzamide is sourced from PubChem (CID 63930591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).