5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid

C10H13BrN2O4S — CID 106342777

IUPAC5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C10H13BrN2O4S/c1-12-18(16,17)5-4-13-9-3-2-7(11)6-8(9)10(14)15/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyNMFBACGAYDWSFX-UHFFFAOYSA-N
MW337.20 g/mol
LogP1.11
Rot. Bonds6

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

5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid (PubChem CID 106342777) has the molecular formula C10H13BrN2O4S and a molecular weight of 337.20 g/mol. Its IUPAC name is 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
PubChem CID106342777
Molecular FormulaC10H13BrN2O4S
Molecular Weight337.20 g/mol
Exact Mass335.98
IUPAC Name5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C10H13BrN2O4S/c1-12-18(16,17)5-4-13-9-3-2-7(11)6-8(9)10(14)15/h2-3,6,12-13H,4-5H2,1H3,(H,14,15)
InChIKeyNMFBACGAYDWSFX-UHFFFAOYSA-N
XLogP1.11
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2-fluoroethylamino)benzoic acid
CID 130504978
4-bromo-2-[2-(methylsulfamoyl)ethylamino]benzenecarbothioamide
CID 106339245
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
5-bromo-2-(but-3-ynylamino)benzoic acid
CID 114895820
2-(4-bromo-2-cyanoanilino)-N-methylethanesulfonamide
CID 114175304
4-bromo-2-(2-methylsulfonylethylamino)benzoic acid
CID 114907175
5-bromo-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 114895973
2-bromo-6-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342787
5-bromo-2-(4-methoxybutylamino)benzoic acid
CID 114895530
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106339855
5-bromo-2-(3-methylsulfanylbutylamino)benzoic acid
CID 114896008
5-bromo-2-(but-2-ynylamino)benzoic acid
CID 114895978

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid (CID 106342777) is 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid is CNS(=O)(=O)CCNc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is NMFBACGAYDWSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O4S/c1-12-18(16,17)5-4-13-9-3-2-7(11)6-8(9)10(14)15/h2-3,6,12-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid?
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 337.20 g/mol, XLogP of 1.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid is sourced from PubChem (CID 106342777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).