2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide

C10H13ClFNO4S — CID 55083819

IUPAC2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCO)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO4S/c11-9-7-8(12)1-2-10(9)18(15,16)13-3-5-17-6-4-14/h1-2,7,13-14H,3-6H2
InChIKeyUVMYOTBCBJAQLT-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.77
Rot. Bonds7

About 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide

2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide (PubChem CID 55083819) has the molecular formula C10H13ClFNO4S and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
PubChem CID55083819
Molecular FormulaC10H13ClFNO4S
Molecular Weight297.74 g/mol
Exact Mass297.02
IUPAC Name2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCO)c1ccc(F)cc1Cl
InChIInChI=1S/C10H13ClFNO4S/c11-9-7-8(12)1-2-10(9)18(15,16)13-3-5-17-6-4-14/h1-2,7,13-14H,3-6H2
InChIKeyUVMYOTBCBJAQLT-UHFFFAOYSA-N
XLogP0.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
N-[2-(2-bromoethoxy)ethyl]-2,5-difluorobenzenesulfonamide
CID 113271438
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
2-chloro-4-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206367
2,3,4-trifluoro-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 104600560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide (CID 55083819) is 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide is O=S(=O)(NCCOCCO)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
The InChIKey is UVMYOTBCBJAQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO4S/c11-9-7-8(12)1-2-10(9)18(15,16)13-3-5-17-6-4-14/h1-2,7,13-14H,3-6H2.
What are the key properties of 2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide has a molecular weight of 297.74 g/mol, XLogP of 0.77, 7 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-hydroxyethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 55083819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).