2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide

C9H13FN2O2S — CID 16788916

IUPAC2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C9H13FN2O2S/c10-9-3-1-8(2-4-9)7-12-15(13,14)6-5-11/h1-4,12H,5-7,11H2
InChIKeyNWLBGATWPVDPKG-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.20
Rot. Bonds5

About 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide

2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide (PubChem CID 16788916) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide
PubChem CID16788916
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide
SMILESNCCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C9H13FN2O2S/c10-9-3-1-8(2-4-9)7-12-15(13,14)6-5-11/h1-4,12H,5-7,11H2
InChIKeyNWLBGATWPVDPKG-UHFFFAOYSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide (CID 16788916) is 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide is NCCS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
The InChIKey is NWLBGATWPVDPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c10-9-3-1-8(2-4-9)7-12-15(13,14)6-5-11/h1-4,12H,5-7,11H2.
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide?
2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 16788916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).