2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide

C14H16FN3O2S — CID 115992583

IUPAC2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
SMILESCCN(c1cccc(F)c1)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C14H16FN3O2S/c1-2-18(11-6-3-5-10(15)9-11)12-7-4-8-13(14(12)16)21(17,19)20/h3-9H,2,16H2,1H3,(H2,17,19,20)
InChIKeyIWSSRRIPSRTJGT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.21
Rot. Bonds4

About 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide

2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide (PubChem CID 115992583) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
PubChem CID115992583
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide
SMILESCCN(c1cccc(F)c1)c1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C14H16FN3O2S/c1-2-18(11-6-3-5-10(15)9-11)12-7-4-8-13(14(12)16)21(17,19)20/h3-9H,2,16H2,1H3,(H2,17,19,20)
InChIKeyIWSSRRIPSRTJGT-UHFFFAOYSA-N
XLogP2.21
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.21
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-(4-fluoro-N-methylanilino)benzenesulfonamide
CID 115992611
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
3-bromo-2-N-ethyl-2-N-(3-fluorophenyl)pyridine-2,5-diamine
CID 79534994
6-N-ethyl-6-N-(3-fluorophenyl)isoquinoline-5,6-diamine
CID 106947935
2-(N-ethyl-3-fluoroanilino)-N'-hydroxybenzenecarboximidamide
CID 76923932
2-amino-3-[propyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
CID 115992553
4-amino-3-(N-ethyl-3-fluoroanilino)-N-methylbenzamide
CID 63357483
3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 104834417
2-amino-3-[methyl(3,3,3-trifluoropropyl)amino]benzenesulfonamide
CID 112674964
3-N-ethyl-3-N-(3-fluorophenyl)quinoxaline-2,3-diamine
CID 102985857
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide?
The IUPAC name of 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide (CID 115992583) is 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide.
What is the SMILES notation for 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide?
The canonical SMILES for 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide is CCN(c1cccc(F)c1)c1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide?
The InChIKey is IWSSRRIPSRTJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-2-18(11-6-3-5-10(15)9-11)12-7-4-8-13(14(12)16)21(17,19)20/h3-9H,2,16H2,1H3,(H2,17,19,20).
What are the key properties of 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide?
2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(N-ethyl-3-fluoroanilino)benzenesulfonamide is sourced from PubChem (CID 115992583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).