2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

C12H12FN3O2S — CID 106934446

IUPAC2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C12H12FN3O2S/c1-16(9-5-7-15-8-6-9)19(17,18)12-10(13)3-2-4-11(12)14/h2-8H,14H2,1H3
InChIKeyXTSQXVYQENKUFL-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934446) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934446
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C12H12FN3O2S/c1-16(9-5-7-15-8-6-9)19(17,18)12-10(13)3-2-4-11(12)14/h2-8H,14H2,1H3
InChIKeyXTSQXVYQENKUFL-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

3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934412
2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498561
3-fluoro-1-N-methyl-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 115127058
2,6-difluoro-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4994622
3-amino-N,4,5-trimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934458
2-amino-6-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512147
3-fluoro-2-propan-2-ylsulfonylaniline
CID 130526460
2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63206519
N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106937622
2-fluoro-4,5-dimethoxy-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 167935434

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934446) is 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is CN(c1ccncc1)S(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is XTSQXVYQENKUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-16(9-5-7-15-8-6-9)19(17,18)12-10(13)3-2-4-11(12)14/h2-8H,14H2,1H3.
What are the key properties of 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
2-amino-6-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 2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).