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

C14H16FN3O2S — CID 82898642

IUPAC4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(Nc2cccc(F)c2)c1
InChIInChI=1S/C14H16FN3O2S/c1-18(2)21(19,20)12-6-7-13(16)14(9-12)17-11-5-3-4-10(15)8-11/h3-9,17H,16H2,1-2H3
InChIKeyOBJJGTJUJTWOSP-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.40
Rot. Bonds4

About 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide

4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide (PubChem CID 82898642) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
PubChem CID82898642
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(Nc2cccc(F)c2)c1
InChIInChI=1S/C14H16FN3O2S/c1-18(2)21(19,20)12-6-7-13(16)14(9-12)17-11-5-3-4-10(15)8-11/h3-9,17H,16H2,1-2H3
InChIKeyOBJJGTJUJTWOSP-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-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide
CID 107115678
3-amino-N,N-dimethyl-4-(3-methylanilino)benzenesulfonamide
CID 43341117
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
CID 82902002
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-[2-[[4-(5-aminopentylamino)-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 25101893
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4250932
4-(ethylamino)-3-[(3-fluorophenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 24541411
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
3-(2-amino-5-fluoroanilino)benzonitrile
CID 55067681
4-amino-3-(3-methoxyanilino)-N-methylbenzenesulfonamide
CID 82899659

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide (CID 82898642) is 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(Nc2cccc(F)c2)c1.
What is the InChIKey of 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is OBJJGTJUJTWOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-18(2)21(19,20)12-6-7-13(16)14(9-12)17-11-5-3-4-10(15)8-11/h3-9,17H,16H2,1-2H3.
What are the key properties of 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide?
4-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 4-amino-3-(3-fluoroanilino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82898642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).