2-chloro-N-ethyl-4-fluorobenzenesulfonamide

C8H9ClFNO2S — CID 18338331

IUPAC2-chloro-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C8H9ClFNO2S/c1-2-11-14(12,13)8-4-3-6(10)5-7(8)9/h3-5,11H,2H2,1H3
InChIKeyWCPDLDNKOVBPMC-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.78
Rot. Bonds3

About 2-chloro-N-ethyl-4-fluorobenzenesulfonamide

2-chloro-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 18338331) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 2-chloro-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID18338331
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name2-chloro-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C8H9ClFNO2S/c1-2-11-14(12,13)8-4-3-6(10)5-7(8)9/h3-5,11H,2H2,1H3
InChIKeyWCPDLDNKOVBPMC-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-N-[3-(ethylsulfonylamino)propyl]-4-fluorobenzenesulfonamide
CID 49459653
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916
2-chloro-4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824623
N-(3-amino-2,2-difluoropropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 114384009
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-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724404
3-[(2-chloro-4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936858
2-chloro-4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 55083819
N-[(2-bromophenyl)methyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3673714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 2-chloro-N-ethyl-4-fluorobenzenesulfonamide (CID 18338331) is 2-chloro-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-ethyl-4-fluorobenzenesulfonamide is CCNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is WCPDLDNKOVBPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c1-2-11-14(12,13)8-4-3-6(10)5-7(8)9/h3-5,11H,2H2,1H3.
What are the key properties of 2-chloro-N-ethyl-4-fluorobenzenesulfonamide?
2-chloro-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 237.68 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 18338331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).