3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid

C10H12BrNO5S — CID 79566411

IUPAC3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid
SMILESCc1c(Br)cc(S(=O)(=O)NCCO)cc1C(=O)O
InChIInChI=1S/C10H12BrNO5S/c1-6-8(10(14)15)4-7(5-9(6)11)18(16,17)12-2-3-13/h4-5,12-13H,2-3H2,1H3,(H,14,15)
InChIKeyCBNHZPRERPYMBU-UHFFFAOYSA-N
MW338.18 g/mol
LogP0.73
Rot. Bonds5

About 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid

3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid (PubChem CID 79566411) has the molecular formula C10H12BrNO5S and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid
PubChem CID79566411
Molecular FormulaC10H12BrNO5S
Molecular Weight338.18 g/mol
Exact Mass336.96
IUPAC Name3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid
SMILESCc1c(Br)cc(S(=O)(=O)NCCO)cc1C(=O)O
InChIInChI=1S/C10H12BrNO5S/c1-6-8(10(14)15)4-7(5-9(6)11)18(16,17)12-2-3-13/h4-5,12-13H,2-3H2,1H3,(H,14,15)
InChIKeyCBNHZPRERPYMBU-UHFFFAOYSA-N
XLogP0.73
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5-(butylsulfamoyl)-2-methylbenzoic acid
CID 79567903
3-bromo-5-(4-hydroxypentylsulfamoyl)-2-methylbenzoic acid
CID 106120527
3-bromo-2-methyl-5-(pentan-3-ylsulfamoyl)benzoic acid
CID 79568455
3-bromo-2-chloro-5-(5-hydroxypentylsulfamoyl)benzoic acid
CID 107316601
3-bromo-5-(cyclopentylsulfamoyl)-2-methylbenzoic acid
CID 79568305
2-bromo-5-(6-hydroxyhexylsulfamoyl)benzoic acid
CID 107847689
3-bromo-5-(hexan-3-ylsulfamoyl)-2-methylbenzoic acid
CID 79576120
2-bromo-5-[2-(methanesulfonamido)ethylsulfamoyl]benzoic acid
CID 43420745
3-bromo-5-(1-cyclopropylpropan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 79576290
3-bromo-2-methyl-5-[methyl-[2-(methylamino)ethyl]sulfamoyl]benzoic acid
CID 79567907
2-bromo-5-(3-methylbutylsulfamoyl)benzoic acid
CID 43216892
3-bromo-5-[ethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 79567475

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid?
The IUPAC name of 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid (CID 79566411) is 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid.
What is the SMILES notation for 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid?
The canonical SMILES for 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid is Cc1c(Br)cc(S(=O)(=O)NCCO)cc1C(=O)O.
What is the InChIKey of 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid?
The InChIKey is CBNHZPRERPYMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO5S/c1-6-8(10(14)15)4-7(5-9(6)11)18(16,17)12-2-3-13/h4-5,12-13H,2-3H2,1H3,(H,14,15).
What are the key properties of 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid?
3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid has a molecular weight of 338.18 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-hydroxyethylsulfamoyl)-2-methylbenzoic acid is sourced from PubChem (CID 79566411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).