N-(2-chloro-5-fluorophenyl)ethanesulfonamide

C8H9ClFNO2S — CID 107531524

IUPACN-(2-chloro-5-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C8H9ClFNO2S/c1-2-14(12,13)11-8-5-6(10)3-4-7(8)9/h3-5,11H,2H2,1H3
InChIKeyFTWTZEYZMZKETA-UHFFFAOYSA-N
MW237.68 g/mol
LogP2.24
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)ethanesulfonamide

N-(2-chloro-5-fluorophenyl)ethanesulfonamide (PubChem CID 107531524) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)ethanesulfonamide
PubChem CID107531524
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC NameN-(2-chloro-5-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C8H9ClFNO2S/c1-2-14(12,13)11-8-5-6(10)3-4-7(8)9/h3-5,11H,2H2,1H3
InChIKeyFTWTZEYZMZKETA-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127
1-chloro-4-fluoro-2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]benzene
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N-(2-chloro-4-fluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114138711
N-(4-amino-2,5-dichlorophenyl)ethanesulfonamide
CID 57028316
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)benzenesulfonamide
CID 106088506
N-(5-fluoro-2-morpholin-4-ylphenyl)ethanesulfonamide
CID 113092743
N-(2-chloro-5-fluorophenyl)acetamide
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CID 107629618

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)ethanesulfonamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)ethanesulfonamide (CID 107531524) is N-(2-chloro-5-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)ethanesulfonamide?
The InChIKey is FTWTZEYZMZKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c1-2-14(12,13)11-8-5-6(10)3-4-7(8)9/h3-5,11H,2H2,1H3.
What are the key properties of N-(2-chloro-5-fluorophenyl)ethanesulfonamide?
N-(2-chloro-5-fluorophenyl)ethanesulfonamide has a molecular weight of 237.68 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 107531524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).