N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide

C9H14FN3O2S — CID 23517191

IUPACN-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccc(F)cc1N
InChIInChI=1S/C9H14FN3O2S/c1-16(14,15)13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyCGPSEJUZPPVLRZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.37
Rot. Bonds5

About N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide

N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide (PubChem CID 23517191) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide
PubChem CID23517191
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC NameN-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccc(F)cc1N
InChIInChI=1S/C9H14FN3O2S/c1-16(14,15)13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyCGPSEJUZPPVLRZ-UHFFFAOYSA-N
XLogP0.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide (CID 23517191) is N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ccc(F)cc1N.
What is the InChIKey of N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide?
The InChIKey is CGPSEJUZPPVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-16(14,15)13-5-4-12-9-3-2-7(10)6-8(9)11/h2-3,6,12-13H,4-5,11H2,1H3.
What are the key properties of N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide?
N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-4-fluoroanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 23517191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).