2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

C11H17Cl2FN2O3S — CID 120717723

IUPAC2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C11H16ClFN2O3S.ClH/c1-18-7-6-14-4-5-15-19(16,17)11-3-2-9(13)8-10(11)12;/h2-3,8,14-15H,4-7H2,1H3;1H
InChIKeyDCQIDVOSODZYKP-UHFFFAOYSA-N
MW347.24 g/mol
LogP1.42
Rot. Bonds8

About 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120717723) has the molecular formula C11H17Cl2FN2O3S and a molecular weight of 347.24 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120717723
Molecular FormulaC11H17Cl2FN2O3S
Molecular Weight347.24 g/mol
Exact Mass346.03
IUPAC Name2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C11H16ClFN2O3S.ClH/c1-18-7-6-14-4-5-15-19(16,17)11-3-2-9(13)8-10(11)12;/h2-3,8,14-15H,4-7H2,1H3;1H
InChIKeyDCQIDVOSODZYKP-UHFFFAOYSA-N
XLogP1.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride 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

2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
2,4-difluoro-N-[2-(2-methoxyethylamino)ethyl]-5-methylbenzenesulfonamide;hydrochloride
CID 120717697
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120717723) is 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is DCQIDVOSODZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O3S.ClH/c1-18-7-6-14-4-5-15-19(16,17)11-3-2-9(13)8-10(11)12;/h2-3,8,14-15H,4-7H2,1H3;1H.
What are the key properties of 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 347.24 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).