3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

C12H12FN3O2S — CID 106934493

IUPAC3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H12FN3O2S/c1-16(9-4-6-15-7-5-9)19(17,18)10-2-3-11(13)12(14)8-10/h2-8H,14H2,1H3
InChIKeyZBSSNPPTSOYWIK-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.63
Rot. Bonds3

About 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934493) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934493
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C12H12FN3O2S/c1-16(9-4-6-15-7-5-9)19(17,18)10-2-3-11(13)12(14)8-10/h2-8H,14H2,1H3
InChIKeyZBSSNPPTSOYWIK-UHFFFAOYSA-N
XLogP1.63
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934458
2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934446
3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934412
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297
2-methyl-4-[methyl(pyridin-4-yl)sulfamoyl]benzenecarbothioamide
CID 106935867
4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752600
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934484
3-amino-4-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzenesulfonamide
CID 64512733
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434
N-methyl-4-(methylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
CID 106936304

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934493) is 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is CN(c1ccncc1)S(=O)(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is ZBSSNPPTSOYWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-16(9-4-6-15-7-5-9)19(17,18)10-2-3-11(13)12(14)8-10/h2-8H,14H2,1H3.
What are the key properties of 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).