2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide

C9H14FN3O2S — CID 106334008

IUPAC2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(N)cc1F
InChIInChI=1S/C9H14FN3O2S/c1-12-16(14,15)5-4-13-9-3-2-7(11)6-8(9)10/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyYFSKEQZOKCRMCW-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.37
Rot. Bonds5

About 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide

2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide (PubChem CID 106334008) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
PubChem CID106334008
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC Name2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1ccc(N)cc1F
InChIInChI=1S/C9H14FN3O2S/c1-12-16(14,15)5-4-13-9-3-2-7(11)6-8(9)10/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyYFSKEQZOKCRMCW-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-[2-(methylsulfamoyl)ethylamino]benzoate
CID 106341902
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
2-(2-amino-4-methylsulfonylanilino)-N-methylethanesulfonamide
CID 106333936
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
2-(2-amino-4-methoxyanilino)-N-methylethanesulfonamide
CID 106333993
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60916324
4-(4-amino-2-fluoroanilino)butan-2-ol
CID 64928841
5-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzenecarbothioamide
CID 106339147
2-(difluoromethyl)-1-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 55230611
2-(4-amino-2-methylanilino)-N-(2-hydroxyethyl)ethanesulfonamide
CID 58586704
2-(3-amino-5-methylanilino)-N-methylethanesulfonamide
CID 106334106
2-(4-bromo-2-cyanoanilino)-N-methylethanesulfonamide
CID 114175304

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide?
The IUPAC name of 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide (CID 106334008) is 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide.
What is the SMILES notation for 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide?
The canonical SMILES for 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide?
The InChIKey is YFSKEQZOKCRMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-12-16(14,15)5-4-13-9-3-2-7(11)6-8(9)10/h2-3,6,12-13H,4-5,11H2,1H3.
What are the key properties of 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide?
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide 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 2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide is sourced from PubChem (CID 106334008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).