3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H14FN3O2S — CID 116791368

IUPAC3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCc2ccccn2)cc1F
InChIInChI=1S/C13H14FN3O2S/c1-9-12(14)6-11(7-13(9)15)20(18,19)17-8-10-4-2-3-5-16-10/h2-7,17H,8,15H2,1H3
InChIKeyNGEHLRKYIRPWME-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 116791368) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID116791368
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCc2ccccn2)cc1F
InChIInChI=1S/C13H14FN3O2S/c1-9-12(14)6-11(7-13(9)15)20(18,19)17-8-10-4-2-3-5-16-10/h2-7,17H,8,15H2,1H3
InChIKeyNGEHLRKYIRPWME-UHFFFAOYSA-N
XLogP1.59
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.59
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

3-amino-4-ethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257796
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 731623
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
6-amino-2,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43257804
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
5-amino-2-chloro-4-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61112651
4-fluoro-2,6-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107326525
6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62144545
4-(2-aminophenyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110454351
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106368971
5-chloro-2-fluoro-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110759353

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 116791368) is 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCc2ccccn2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is NGEHLRKYIRPWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9-12(14)6-11(7-13(9)15)20(18,19)17-8-10-4-2-3-5-16-10/h2-7,17H,8,15H2,1H3.
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 116791368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).