2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide

C11H17BrN2O3S — CID 43551860

IUPAC2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide
SMILESCCC(NCCS(N)(=O)=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H17BrN2O3S/c1-2-10(14-5-6-18(13,16)17)9-7-8(12)3-4-11(9)15/h3-4,7,10,14-15H,2,5-6H2,1H3,(H2,13,16,17)
InChIKeyIYZZWQSIXOLLMR-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.48
Rot. Bonds6

About 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide

2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide (PubChem CID 43551860) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide
PubChem CID43551860
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide
SMILESCCC(NCCS(N)(=O)=O)c1cc(Br)ccc1O
InChIInChI=1S/C11H17BrN2O3S/c1-2-10(14-5-6-18(13,16)17)9-7-8(12)3-4-11(9)15/h3-4,7,10,14-15H,2,5-6H2,1H3,(H2,13,16,17)
InChIKeyIYZZWQSIXOLLMR-UHFFFAOYSA-N
XLogP1.48
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethyl]methanesulfonamide
CID 43107616
2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethylurea
CID 83109543
4-bromo-2-[1-(2-methoxyethylamino)propyl]phenol
CID 43190151
4-bromo-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]propyl]phenol
CID 104924511
ethyl 4-[1-(5-bromo-2-hydroxyphenyl)propylamino]butanoate
CID 64580649
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
CID 130067502
4-bromo-2-[1-(2,2,2-trifluoroethylamino)propyl]phenol
CID 24705211
4-bromo-2-[1-(3-methylbut-2-enylamino)propyl]phenol
CID 103522639
2-[1-(5-bromo-2-hydroxyphenyl)propylamino]propanoic acid
CID 54959622
4-bromo-2-[1-(4-methylpentan-2-ylamino)propyl]phenol
CID 43371909
4-bromo-2-[1-[(3,3-difluoro-2-hydroxypropyl)amino]propyl]phenol
CID 104924965
4-bromo-2-[1-(2,2-diethoxyethylamino)propyl]phenol
CID 79547688

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide (CID 43551860) is 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide is CCC(NCCS(N)(=O)=O)c1cc(Br)ccc1O.
What is the InChIKey of 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide?
The InChIKey is IYZZWQSIXOLLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-2-10(14-5-6-18(13,16)17)9-7-8(12)3-4-11(9)15/h3-4,7,10,14-15H,2,5-6H2,1H3,(H2,13,16,17).
What are the key properties of 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide?
2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-hydroxyphenyl)propylamino]ethanesulfonamide is sourced from PubChem (CID 43551860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).