2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide

C13H14FN3O2S — CID 115992611

IUPAC2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide
SMILESCN(c1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H14FN3O2S/c1-17(10-7-5-9(14)6-8-10)11-3-2-4-12(13(11)15)20(16,18)19/h2-8H,15H2,1H3,(H2,16,18,19)
InChIKeyRLNUKOJJHFXBAZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.82
Rot. Bonds3

About 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide

2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide (PubChem CID 115992611) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide
PubChem CID115992611
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide
SMILESCN(c1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C13H14FN3O2S/c1-17(10-7-5-9(14)6-8-10)11-3-2-4-12(13(11)15)20(16,18)19/h2-8H,15H2,1H3,(H2,16,18,19)
InChIKeyRLNUKOJJHFXBAZ-UHFFFAOYSA-N
XLogP1.82
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(N-ethyl-4-fluoroanilino)benzenesulfonamide
CID 115992626
2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
CID 115992583
2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide
CID 112674964
2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 115992447
2-amino-3-(2-fluoro-3-methylphenoxy)benzenesulfonamide
CID 107655417
2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 115992553
2-amino-3-methylsulfanylbenzenesulfonamide
CID 112675184
3-fluoro-1-N-methyl-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 115127058
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316
1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127036
3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
CID 115127029
2-[(1R)-1-aminoethyl]-N-(4-fluorophenyl)-N-methylaniline
CID 78935395

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide (CID 115992611) is 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide is CN(c1ccc(F)cc1)c1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide?
The InChIKey is RLNUKOJJHFXBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-17(10-7-5-9(14)6-8-10)11-3-2-4-12(13(11)15)20(16,18)19/h2-8H,15H2,1H3,(H2,16,18,19).
What are the key properties of 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide?
2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide is sourced from PubChem (CID 115992611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).