2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C11H13BrN2O5S — CID 43398569

IUPAC2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C11H13BrN2O5S/c1-2-13-10(15)6-14-20(18,19)7-3-4-9(12)8(5-7)11(16)17/h3-5,14H,2,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyLRCVFGDZZVKXNB-UHFFFAOYSA-N
MW365.21 g/mol
LogP0.56
Rot. Bonds6

About 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid

2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 43398569) has the molecular formula C11H13BrN2O5S and a molecular weight of 365.21 g/mol. Its IUPAC name is 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID43398569
Molecular FormulaC11H13BrN2O5S
Molecular Weight365.21 g/mol
Exact Mass363.97
IUPAC Name2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCCNC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
InChIInChI=1S/C11H13BrN2O5S/c1-2-13-10(15)6-14-20(18,19)7-3-4-9(12)8(5-7)11(16)17/h3-5,14H,2,6H2,1H3,(H,13,15)(H,16,17)
InChIKeyLRCVFGDZZVKXNB-UHFFFAOYSA-N
XLogP0.56
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.21
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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2-bromo-5-(3-methylbutylsulfamoyl)benzoic acid
CID 43216892
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2-bromo-5-[[1-(2-hydroxyethyl)cyclopropyl]methylsulfamoyl]benzoic acid
CID 114755973
2-[[2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetyl]amino]acetic acid
CID 103710320
2-bromo-5-(5-methylhexylsulfamoyl)benzoic acid
CID 115325025
N-ethyl-2-[(3-fluoro-4-nitrophenyl)sulfonylamino]acetamide
CID 82839125
2-chloro-5-[[2-(methylamino)-2-oxoethyl]sulfamoyl]benzoic acid
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N-ethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 51102093

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 43398569) is 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CCNC(=O)CNS(=O)(=O)c1ccc(Br)c(C(=O)O)c1.
What is the InChIKey of 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is LRCVFGDZZVKXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O5S/c1-2-13-10(15)6-14-20(18,19)7-3-4-9(12)8(5-7)11(16)17/h3-5,14H,2,6H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 365.21 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 43398569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).