1-(3-chloro-4-fluorophenyl)ethanesulfonamide

C8H9ClFNO2S — CID 62084385

IUPAC1-(3-chloro-4-fluorophenyl)ethanesulfonamide
SMILESCC(c1ccc(F)c(Cl)c1)S(N)(=O)=O
InChIInChI=1S/C8H9ClFNO2S/c1-5(14(11,12)13)6-2-3-8(10)7(9)4-6/h2-5H,1H3,(H2,11,12,13)
InChIKeyWTSOKRFNVIJJTO-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.83
Rot. Bonds2

About 1-(3-chloro-4-fluorophenyl)ethanesulfonamide

1-(3-chloro-4-fluorophenyl)ethanesulfonamide (PubChem CID 62084385) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)ethanesulfonamide
PubChem CID62084385
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name1-(3-chloro-4-fluorophenyl)ethanesulfonamide
SMILESCC(c1ccc(F)c(Cl)c1)S(N)(=O)=O
InChIInChI=1S/C8H9ClFNO2S/c1-5(14(11,12)13)6-2-3-8(10)7(9)4-6/h2-5H,1H3,(H2,11,12,13)
InChIKeyWTSOKRFNVIJJTO-UHFFFAOYSA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)ethanesulfonamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)ethanesulfonamide (CID 62084385) is 1-(3-chloro-4-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)ethanesulfonamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)ethanesulfonamide is CC(c1ccc(F)c(Cl)c1)S(N)(=O)=O.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)ethanesulfonamide?
The InChIKey is WTSOKRFNVIJJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c1-5(14(11,12)13)6-2-3-8(10)7(9)4-6/h2-5H,1H3,(H2,11,12,13).
What are the key properties of 1-(3-chloro-4-fluorophenyl)ethanesulfonamide?
1-(3-chloro-4-fluorophenyl)ethanesulfonamide has a molecular weight of 237.68 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 62084385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).