2-bromo-5-(ethylsulfamoyl)benzoic acid

C9H10BrNO4S — CID 2512632

IUPAC2-bromo-5-(ethylsulfamoyl)benzoic acid
SMILESCCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C9H10BrNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyNWFCKUNKCMNENA-UHFFFAOYSA-N
MW308.15 g/mol
LogP1.45
Rot. Bonds4

About 2-bromo-5-(ethylsulfamoyl)benzoic acid

2-bromo-5-(ethylsulfamoyl)benzoic acid (PubChem CID 2512632) has the molecular formula C9H10BrNO4S and a molecular weight of 308.15 g/mol. Its IUPAC name is 2-bromo-5-(ethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-bromo-5-(ethylsulfamoyl)benzoic acid
PubChem CID2512632
Molecular FormulaC9H10BrNO4S
Molecular Weight308.15 g/mol
Exact Mass306.95
IUPAC Name2-bromo-5-(ethylsulfamoyl)benzoic acid
SMILESCCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C9H10BrNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13)
InChIKeyNWFCKUNKCMNENA-UHFFFAOYSA-N
XLogP1.45
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylsulfamoyl)benzoic acid?
The IUPAC name of 2-bromo-5-(ethylsulfamoyl)benzoic acid (CID 2512632) is 2-bromo-5-(ethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-bromo-5-(ethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-bromo-5-(ethylsulfamoyl)benzoic acid is CCNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-(ethylsulfamoyl)benzoic acid?
The InChIKey is NWFCKUNKCMNENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S/c1-2-11-16(14,15)6-3-4-8(10)7(5-6)9(12)13/h3-5,11H,2H2,1H3,(H,12,13).
What are the key properties of 2-bromo-5-(ethylsulfamoyl)benzoic acid?
2-bromo-5-(ethylsulfamoyl)benzoic acid has a molecular weight of 308.15 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylsulfamoyl)benzoic acid is sourced from PubChem (CID 2512632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).