1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide

C12H12FN3O2S — CID 107594674

IUPAC1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H12FN3O2S/c13-11-7-15-5-4-12(11)16-19(17,18)8-9-2-1-3-10(14)6-9/h1-7H,8,14H2,(H,15,16)
InChIKeyQNLYDOUSTBRSOF-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.74
Rot. Bonds4

About 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide

1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide (PubChem CID 107594674) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
PubChem CID107594674
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C12H12FN3O2S/c13-11-7-15-5-4-12(11)16-19(17,18)8-9-2-1-3-10(14)6-9/h1-7H,8,14H2,(H,15,16)
InChIKeyQNLYDOUSTBRSOF-UHFFFAOYSA-N
XLogP1.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.74
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

1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
1-bromo-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595287
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
1-(3-aminophenyl)-N-(2-pyridin-4-ylethyl)methanesulfonamide
CID 60914931
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
1-(3-aminophenyl)-N-(2-bromo-4,6-difluorophenyl)methanesulfonamide
CID 43256792
1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634
1-(2-cyanophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107595131
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021
4-amino-2,6-dibromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 107594699

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide (CID 107594674) is 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide is Nc1cccc(CS(=O)(=O)Nc2ccncc2F)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
The InChIKey is QNLYDOUSTBRSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-11-7-15-5-4-12(11)16-19(17,18)8-9-2-1-3-10(14)6-9/h1-7H,8,14H2,(H,15,16).
What are the key properties of 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide?
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide is sourced from PubChem (CID 107594674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).