2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

C13H21BrN2O3S — CID 106113439

IUPAC2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H21BrN2O3S/c1-2-3-10(6-7-17)9-16-20(18,19)13-8-11(14)4-5-12(13)15/h4-5,8,10,16-17H,2-3,6-7,9,15H2,1H3
InChIKeyGLZSUQGOAURBAZ-UHFFFAOYSA-N
MW365.29 g/mol
LogP2.11
Rot. Bonds8

About 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide

2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (PubChem CID 106113439) has the molecular formula C13H21BrN2O3S and a molecular weight of 365.29 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
PubChem CID106113439
Molecular FormulaC13H21BrN2O3S
Molecular Weight365.29 g/mol
Exact Mass364.05
IUPAC Name2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C13H21BrN2O3S/c1-2-3-10(6-7-17)9-16-20(18,19)13-8-11(14)4-5-12(13)15/h4-5,8,10,16-17H,2-3,6-7,9,15H2,1H3
InChIKeyGLZSUQGOAURBAZ-UHFFFAOYSA-N
XLogP2.11
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 52.11
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

2-amino-5-bromo-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66089868
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
5-amino-2-chloro-4-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113557
2-amino-3-fluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113489
5-amino-2,3-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113511
3-amino-N-[2-(2-hydroxyethyl)pentyl]-4,5-dimethylbenzenesulfonamide
CID 106113471
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
3-[(4-amino-3-methylanilino)methyl]hexan-1-ol
CID 114145208
5-chloro-N-[2-(2-hydroxyethyl)pentyl]thiophene-2-sulfonamide
CID 103836355
2-amino-5-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79248581
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide (CID 106113439) is 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
The InChIKey is GLZSUQGOAURBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2O3S/c1-2-3-10(6-7-17)9-16-20(18,19)13-8-11(14)4-5-12(13)15/h4-5,8,10,16-17H,2-3,6-7,9,15H2,1H3.
What are the key properties of 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide?
2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide has a molecular weight of 365.29 g/mol, XLogP of 2.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide is sourced from PubChem (CID 106113439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).