2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide

C11H16ClFN2O4S2 — CID 49459653

IUPAC2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O4S2/c1-2-20(16,17)14-6-3-7-15-21(18,19)11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyXHUUYGBWJWXHDF-UHFFFAOYSA-N
MW358.84 g/mol
LogP1.09
Rot. Bonds8

About 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide

2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide (PubChem CID 49459653) has the molecular formula C11H16ClFN2O4S2 and a molecular weight of 358.84 g/mol. Its IUPAC name is 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
PubChem CID49459653
Molecular FormulaC11H16ClFN2O4S2
Molecular Weight358.84 g/mol
Exact Mass358.02
IUPAC Name2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O4S2/c1-2-20(16,17)14-6-3-7-15-21(18,19)11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,2-3,6-7H2,1H3
InChIKeyXHUUYGBWJWXHDF-UHFFFAOYSA-N
XLogP1.09
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.84
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide 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-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
CID 60609518
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-chloro-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-4-fluorobenzenesulfonamide
CID 131889231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide (CID 49459653) is 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide is CCS(=O)(=O)NCCCNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide?
The InChIKey is XHUUYGBWJWXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O4S2/c1-2-20(16,17)14-6-3-7-15-21(18,19)11-5-4-9(13)8-10(11)12/h4-5,8,14-15H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide?
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide has a molecular weight of 358.84 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 49459653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).