2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide

C11H17BrN2O4S — CID 106308704

IUPAC2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCCCOCCO
InChIInChI=1S/C11H17BrN2O4S/c12-9-2-3-10(13)11(8-9)19(16,17)14-4-1-6-18-7-5-15/h2-3,8,14-15H,1,4-7,13H2
InChIKeyYXTFLAJXNCAKTH-UHFFFAOYSA-N
MW353.24 g/mol
LogP0.71
Rot. Bonds8

About 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide

2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide (PubChem CID 106308704) has the molecular formula C11H17BrN2O4S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
PubChem CID106308704
Molecular FormulaC11H17BrN2O4S
Molecular Weight353.24 g/mol
Exact Mass352.01
IUPAC Name2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
SMILESNc1ccc(Br)cc1S(=O)(=O)NCCCOCCO
InChIInChI=1S/C11H17BrN2O4S/c12-9-2-3-10(13)11(8-9)19(16,17)14-4-1-6-18-7-5-15/h2-3,8,14-15H,1,4-7,13H2
InChIKeyYXTFLAJXNCAKTH-UHFFFAOYSA-N
XLogP0.71
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
CID 106233732
3-amino-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308661
2-amino-5-bromo-N-hex-5-ynylbenzenesulfonamide
CID 114158353
5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308667
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624
5-bromo-N-[3-(2-hydroxyethoxy)propyl]pyridine-3-sulfonamide
CID 113431359

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide (CID 106308704) is 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide is Nc1ccc(Br)cc1S(=O)(=O)NCCCOCCO.
What is the InChIKey of 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
The InChIKey is YXTFLAJXNCAKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O4S/c12-9-2-3-10(13)11(8-9)19(16,17)14-4-1-6-18-7-5-15/h2-3,8,14-15H,1,4-7,13H2.
What are the key properties of 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide?
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide has a molecular weight of 353.24 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide is sourced from PubChem (CID 106308704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).