5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide

C11H17BrN2O4S — CID 114625595

IUPAC5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NCCOCCO
InChIInChI=1S/C11H17BrN2O4S/c1-8-6-9(12)10(13)7-11(8)19(16,17)14-2-4-18-5-3-15/h6-7,14-15H,2-5,13H2,1H3
InChIKeyULFPSSGQYIHLMU-UHFFFAOYSA-N
MW353.24 g/mol
LogP0.63
Rot. Bonds7

About 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide

5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide (PubChem CID 114625595) has the molecular formula C11H17BrN2O4S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
PubChem CID114625595
Molecular FormulaC11H17BrN2O4S
Molecular Weight353.24 g/mol
Exact Mass352.01
IUPAC Name5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Br)c(N)cc1S(=O)(=O)NCCOCCO
InChIInChI=1S/C11H17BrN2O4S/c1-8-6-9(12)10(13)7-11(8)19(16,17)14-2-4-18-5-3-15/h6-7,14-15H,2-5,13H2,1H3
InChIKeyULFPSSGQYIHLMU-UHFFFAOYSA-N
XLogP0.63
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 50.63
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'}

Analyze 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide 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-amino-4-bromo-2-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 114626119
5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308667
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
3-bromo-5-[2-(2-hydroxyethoxy)ethylsulfamoyl]-4-methylbenzoic acid
CID 81479670
5-amino-4-bromo-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464970
5-amino-4-bromo-N-(2-ethoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 114940420
5-amino-4-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbenzenesulfonamide
CID 106249898
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]-4,5-dimethylbenzoic acid
CID 62498475
2-[(5-amino-4-bromo-2-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 114626087
N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 62498938
2-amino-5-bromo-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308613

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide (CID 114625595) is 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide is Cc1cc(Br)c(N)cc1S(=O)(=O)NCCOCCO.
What is the InChIKey of 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is ULFPSSGQYIHLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O4S/c1-8-6-9(12)10(13)7-11(8)19(16,17)14-2-4-18-5-3-15/h6-7,14-15H,2-5,13H2,1H3.
What are the key properties of 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide?
5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 353.24 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-bromo-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 114625595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).