5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid

C10H10BrNO5S — CID 113464976

IUPAC5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
SMILESC=C(Br)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H10BrNO5S/c1-6(11)5-12-18(16,17)7-2-3-9(13)8(4-7)10(14)15/h2-4,12-13H,1,5H2,(H,14,15)
InChIKeyRINIGYDHRYNLAJ-UHFFFAOYSA-N
MW336.16 g/mol
LogP1.28
Rot. Bonds5

About 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid

5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid (PubChem CID 113464976) has the molecular formula C10H10BrNO5S and a molecular weight of 336.16 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
PubChem CID113464976
Molecular FormulaC10H10BrNO5S
Molecular Weight336.16 g/mol
Exact Mass334.95
IUPAC Name5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
SMILESC=C(Br)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H10BrNO5S/c1-6(11)5-12-18(16,17)7-2-3-9(13)8(4-7)10(14)15/h2-4,12-13H,1,5H2,(H,14,15)
InChIKeyRINIGYDHRYNLAJ-UHFFFAOYSA-N
XLogP1.28
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic 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

5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637
5-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168283
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019383
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
5-(cyclohexylmethylsulfamoyl)-2-hydroxybenzoic acid
CID 43091618

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid (CID 113464976) is 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid is C=C(Br)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid?
The InChIKey is RINIGYDHRYNLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO5S/c1-6(11)5-12-18(16,17)7-2-3-9(13)8(4-7)10(14)15/h2-4,12-13H,1,5H2,(H,14,15).
What are the key properties of 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid?
5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid has a molecular weight of 336.16 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 113464976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).