2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

C9H11ClFNO3S — CID 47154916

IUPAC2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO3S/c1-15-5-4-12-16(13,14)9-3-2-7(11)6-8(9)10/h2-3,6,12H,4-5H2,1H3
InChIKeyVJIAJHSWUOJZJJ-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.40
Rot. Bonds5

About 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide

2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 47154916) has the molecular formula C9H11ClFNO3S and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID47154916
Molecular FormulaC9H11ClFNO3S
Molecular Weight267.71 g/mol
Exact Mass267.01
IUPAC Name2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H11ClFNO3S/c1-15-5-4-12-16(13,14)9-3-2-7(11)6-8(9)10/h2-3,6,12H,4-5H2,1H3
InChIKeyVJIAJHSWUOJZJJ-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
2-chloro-4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 3861915
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide (CID 47154916) is 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is COCCNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is VJIAJHSWUOJZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO3S/c1-15-5-4-12-16(13,14)9-3-2-7(11)6-8(9)10/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 267.71 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 47154916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).