5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide

C8H11BrN2O3S — CID 65201907

IUPAC5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C8H11BrN2O3S/c9-7-2-1-6(10)5-8(7)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2
InChIKeyJALZBIJREFPJBR-UHFFFAOYSA-N
MW295.16 g/mol
LogP0.30
Rot. Bonds4

About 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide

5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 65201907) has the molecular formula C8H11BrN2O3S and a molecular weight of 295.16 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID65201907
Molecular FormulaC8H11BrN2O3S
Molecular Weight295.16 g/mol
Exact Mass293.97
IUPAC Name5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide
SMILESNc1ccc(Br)c(S(=O)(=O)NCCO)c1
InChIInChI=1S/C8H11BrN2O3S/c9-7-2-1-6(10)5-8(7)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2
InChIKeyJALZBIJREFPJBR-UHFFFAOYSA-N
XLogP0.30
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.16
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-bromo-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840167
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
5-amino-2-bromo-N-propylbenzenesulfonamide
CID 65202371
3-[(5-amino-2-bromophenyl)sulfonylamino]propanamide
CID 65202243
5-amino-2-bromo-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 65206667
5-amino-2-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229551
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529
3-[2-[(5-amino-2-bromophenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108301
5-amino-2-bromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107213331
5-amino-2-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 65202093
5-amino-2-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 65206505
5-amino-2-bromo-N-prop-2-ynylbenzenesulfonamide
CID 65207005

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide (CID 65201907) is 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide is Nc1ccc(Br)c(S(=O)(=O)NCCO)c1.
What is the InChIKey of 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is JALZBIJREFPJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S/c9-7-2-1-6(10)5-8(7)15(13,14)11-3-4-12/h1-2,5,11-12H,3-4,10H2.
What are the key properties of 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide?
5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 295.16 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 65201907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).