2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide

C8H10ClFN2O2S — CID 29080300

IUPAC2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C8H10ClFN2O2S/c9-7-5-6(10)1-2-8(7)12-15(13,14)4-3-11/h1-2,5,12H,3-4,11H2
InChIKeyGMGUAFNJFWWAGE-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.18
Rot. Bonds4

About 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide

2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide (PubChem CID 29080300) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide
PubChem CID29080300
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C8H10ClFN2O2S/c9-7-5-6(10)1-2-8(7)12-15(13,14)4-3-11/h1-2,5,12H,3-4,11H2
InChIKeyGMGUAFNJFWWAGE-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide (CID 29080300) is 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide is NCCS(=O)(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide?
The InChIKey is GMGUAFNJFWWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c9-7-5-6(10)1-2-8(7)12-15(13,14)4-3-11/h1-2,5,12H,3-4,11H2.
What are the key properties of 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide?
2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide has a molecular weight of 252.70 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 29080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).