3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide

C12H12FN3O2S — CID 63667962

IUPAC3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H12FN3O2S/c1-8-7-15-3-2-12(8)16-19(17,18)11-5-9(13)4-10(14)6-11/h2-7H,14H2,1H3,(H,15,16)
InChIKeyDPKLBBGKHGHMKA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.91
Rot. Bonds3

About 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide

3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 63667962) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID63667962
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC Name3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C12H12FN3O2S/c1-8-7-15-3-2-12(8)16-19(17,18)11-5-9(13)4-10(14)6-11/h2-7H,14H2,1H3,(H,15,16)
InChIKeyDPKLBBGKHGHMKA-UHFFFAOYSA-N
XLogP1.91
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.91
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

4-amino-2,6-difluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669668
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-amino-N-(5-bromo-2-fluorophenyl)-5-fluorobenzenesulfonamide
CID 63322305
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 63667962) is 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cnccc1NS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is DPKLBBGKHGHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c1-8-7-15-3-2-12(8)16-19(17,18)11-5-9(13)4-10(14)6-11/h2-7H,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 63667962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).