3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide

C14H16FN3O2S — CID 63322274

IUPAC3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(N)cc(F)c2)cc1
InChIInChI=1S/C14H16FN3O2S/c1-18(2)13-5-3-12(4-6-13)17-21(19,20)14-8-10(15)7-11(16)9-14/h3-9,17H,16H2,1-2H3
InChIKeyUIRLKIQEUVKFDE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.27
Rot. Bonds4

About 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide

3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide (PubChem CID 63322274) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide
PubChem CID63322274
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide
SMILESCN(C)c1ccc(NS(=O)(=O)c2cc(N)cc(F)c2)cc1
InChIInChI=1S/C14H16FN3O2S/c1-18(2)13-5-3-12(4-6-13)17-21(19,20)14-8-10(15)7-11(16)9-14/h3-9,17H,16H2,1-2H3
InChIKeyUIRLKIQEUVKFDE-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 63321784
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
3-amino-5-fluoro-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 63322037
N-[4-(dimethylamino)phenyl]pyrene-2-sulfonamide
CID 100936136
N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 43604849
4-[(3,5-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 24580816
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908
3-amino-N-(2-bromo-4,6-difluorophenyl)-5-fluorobenzenesulfonamide
CID 63322042
N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 11165024
3-[(3-aminophenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 67665242
N-(4-acetylphenyl)-3,5-difluorobenzenesulfonamide
CID 51170160

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide (CID 63322274) is 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide is CN(C)c1ccc(NS(=O)(=O)c2cc(N)cc(F)c2)cc1.
What is the InChIKey of 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide?
The InChIKey is UIRLKIQEUVKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-18(2)13-5-3-12(4-6-13)17-21(19,20)14-8-10(15)7-11(16)9-14/h3-9,17H,16H2,1-2H3.
What are the key properties of 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide?
3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 63322274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).