2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide

C9H14FN3O2S — CID 103589964

IUPAC2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
SMILESCc1cc(NCCS(N)(=O)=O)c(N)cc1F
InChIInChI=1S/C9H14FN3O2S/c1-6-4-9(8(11)5-7(6)10)13-2-3-16(12,14)15/h4-5,13H,2-3,11H2,1H3,(H2,12,14,15)
InChIKeyQQAALRMWJOWEBD-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.42
Rot. Bonds4

About 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide

2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide (PubChem CID 103589964) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
PubChem CID103589964
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC Name2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
SMILESCc1cc(NCCS(N)(=O)=O)c(N)cc1F
InChIInChI=1S/C9H14FN3O2S/c1-6-4-9(8(11)5-7(6)10)13-2-3-16(12,14)15/h4-5,13H,2-3,11H2,1H3,(H2,12,14,15)
InChIKeyQQAALRMWJOWEBD-UHFFFAOYSA-N
XLogP0.42
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.42
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

N-(3-{[2-nitro-4-(trifluoromethyl)phenyl]amino}propyl)methanesulfonamide
CID 2888712
N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]methanesulfonamide
CID 2924955
N-Ethyl-N-(beta-methylsulfonamidoethyl)-m-toluidine
CID 168663
N-[4-[2-nitro-4-(trifluoromethyl)anilino]butyl]methanesulfonamide
CID 2888697
N1-butyl-4-(trifluoromethyl)benzene-1,2-diamine
CID 2396438
2-[3-(Aminomethyl)phenyl]-1,2-thiazolidine-1,1-dione
CID 24688479
N-(3-(4-(dimethylamino)phenyl)propyl)-1-(2-fluorophenyl)methanesulfonamide
CID 16890884
2-{[4-(3-Methylphenyl)piperazin-1-yl]sulfonyl}ethan-1-amine
CID 20117101
1-(4-fluorophenyl)-N-methyl-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanesulfonamide
CID 44573168
2-fluoro-5-methyl-N-(2-methyl-2-methylsulfonylpropyl)aniline
CID 84595335
1,2-Benzenediamine, N1-ethyl-4-(trifluoromethyl)-
CID 121683
2-(4-(Aminomethyl)phenyl)-1,2-thiazolidine-1,1-dione
CID 24689158

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide?
The IUPAC name of 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide (CID 103589964) is 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide.
What is the SMILES notation for 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide?
The canonical SMILES for 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide is Cc1cc(NCCS(N)(=O)=O)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide?
The InChIKey is QQAALRMWJOWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-6-4-9(8(11)5-7(6)10)13-2-3-16(12,14)15/h4-5,13H,2-3,11H2,1H3,(H2,12,14,15).
What are the key properties of 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide?
2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide is sourced from PubChem (CID 103589964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).