2-bromo-5-(diethylsulfamoyl)benzoate

C11H13BrNO4S- — CID 3668554

IUPAC2-bromo-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1
InChIInChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1
InChIKeySUMISZHUFQXXJD-UHFFFAOYSA-M
MW335.20 g/mol
LogP0.84
Rot. Bonds5

About 2-bromo-5-(diethylsulfamoyl)benzoate

2-bromo-5-(diethylsulfamoyl)benzoate (PubChem CID 3668554) has the molecular formula C11H13BrNO4S- and a molecular weight of 335.20 g/mol. Its IUPAC name is 2-bromo-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-bromo-5-(diethylsulfamoyl)benzoate
PubChem CID3668554
Molecular FormulaC11H13BrNO4S-
Molecular Weight335.20 g/mol
Exact Mass333.98
IUPAC Name2-bromo-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1
InChIInChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1
InChIKeySUMISZHUFQXXJD-UHFFFAOYSA-M
XLogP0.84
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
5-[(2-amino-2-oxoethyl)-ethylsulfamoyl]-2-bromobenzoic acid
CID 103101599
N-(2-amino-2-oxoethyl)-2-bromo-5-(diethylsulfamoyl)benzamide
CID 9296732
2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323
2-(4-bromophenyl)sulfanyl-5-(diethylsulfamoyl)benzoate
CID 5252610
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984
2-bromo-N-cyclopentyl-5-(diethylsulfamoyl)benzamide
CID 9214228
3-(anilinocarbamoyl)-4-bromo-N,N-diethylbenzenesulfonamide
CID 86932912
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
CID 30099721
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
CID 850059

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(diethylsulfamoyl)benzoate?
The IUPAC name of 2-bromo-5-(diethylsulfamoyl)benzoate (CID 3668554) is 2-bromo-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for 2-bromo-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for 2-bromo-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1.
What is the InChIKey of 2-bromo-5-(diethylsulfamoyl)benzoate?
The InChIKey is SUMISZHUFQXXJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)/p-1.
What are the key properties of 2-bromo-5-(diethylsulfamoyl)benzoate?
2-bromo-5-(diethylsulfamoyl)benzoate has a molecular weight of 335.20 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 3668554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).