3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid

C11H11BrFNO4S — CID 177202737

IUPAC3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
SMILESCC1(NS(=O)(=O)c2cc(Br)c(F)c(C(=O)O)c2)CC1
InChIInChI=1S/C11H11BrFNO4S/c1-11(2-3-11)14-19(17,18)6-4-7(10(15)16)9(13)8(12)5-6/h4-5,14H,2-3H2,1H3,(H,15,16)
InChIKeyZNQJBJPZFZKKEU-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.12
Rot. Bonds4

About 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid

3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid (PubChem CID 177202737) has the molecular formula C11H11BrFNO4S and a molecular weight of 352.18 g/mol. Its IUPAC name is 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
PubChem CID177202737
Molecular FormulaC11H11BrFNO4S
Molecular Weight352.18 g/mol
Exact Mass350.96
IUPAC Name3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid
SMILESCC1(NS(=O)(=O)c2cc(Br)c(F)c(C(=O)O)c2)CC1
InChIInChI=1S/C11H11BrFNO4S/c1-11(2-3-11)14-19(17,18)6-4-7(10(15)16)9(13)8(12)5-6/h4-5,14H,2-3H2,1H3,(H,15,16)
InChIKeyZNQJBJPZFZKKEU-UHFFFAOYSA-N
XLogP2.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid (CID 177202737) is 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid is CC1(NS(=O)(=O)c2cc(Br)c(F)c(C(=O)O)c2)CC1.
What is the InChIKey of 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
The InChIKey is ZNQJBJPZFZKKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO4S/c1-11(2-3-11)14-19(17,18)6-4-7(10(15)16)9(13)8(12)5-6/h4-5,14H,2-3H2,1H3,(H,15,16).
What are the key properties of 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid?
3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid has a molecular weight of 352.18 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-fluoro-5-[(1-methylcyclopropyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 177202737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).