2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide

C14H16FN3O2S — CID 107115678

IUPAC2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2cccc(F)c2)c1N
InChIInChI=1S/C14H16FN3O2S/c1-18(2)21(19,20)13-8-4-7-12(14(13)16)17-11-6-3-5-10(15)9-11/h3-9,17H,16H2,1-2H3
InChIKeyWIVQXXKQVUUYOQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.40
Rot. Bonds4

About 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide

2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide (PubChem CID 107115678) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
PubChem CID107115678
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(Nc2cccc(F)c2)c1N
InChIInChI=1S/C14H16FN3O2S/c1-18(2)21(19,20)13-8-4-7-12(14(13)16)17-11-6-3-5-10(15)9-11/h3-9,17H,16H2,1-2H3
InChIKeyWIVQXXKQVUUYOQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 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 ≤ 52.40
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-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709
2-amino-3-(4-iodoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115669
4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 82898642
1-N-(3,5-difluorophenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82002659
2-amino-3-(2-bromoanilino)-N,N-dimethylbenzenesulfonamide
CID 107115684
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
1-N-(3-methylsulfanylphenyl)-3-methylsulfonylbenzene-1,2-diamine
CID 82003729
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116582

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide (CID 107115678) is 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(Nc2cccc(F)c2)c1N.
What is the InChIKey of 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is WIVQXXKQVUUYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-18(2)21(19,20)13-8-4-7-12(14(13)16)17-11-6-3-5-10(15)9-11/h3-9,17H,16H2,1-2H3.
What are the key properties of 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 107115678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).