4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C12H11F2N3O2S — CID 60984178

IUPAC4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NCc2cccnc2)c(F)c1
InChIInChI=1S/C12H11F2N3O2S/c13-10-4-9(15)5-11(14)12(10)20(18,19)17-7-8-2-1-3-16-6-8/h1-6,17H,7,15H2
InChIKeyYGBLRLZXERSMDP-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 60984178) has the molecular formula C12H11F2N3O2S and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID60984178
Molecular FormulaC12H11F2N3O2S
Molecular Weight299.30 g/mol
Exact Mass299.05
IUPAC Name4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(F)c(S(=O)(=O)NCc2cccnc2)c(F)c1
InChIInChI=1S/C12H11F2N3O2S/c13-10-4-9(15)5-11(14)12(10)20(18,19)17-7-8-2-1-3-16-6-8/h1-6,17H,7,15H2
InChIKeyYGBLRLZXERSMDP-UHFFFAOYSA-N
XLogP1.42
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.42
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-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
2-amino-3,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103171067
4-chloro-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 26947494
4-amino-2,6-difluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 60985509
5-amino-2,4-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 59436024
N-(pyridin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3691784
2,5-dichloro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 660168
5-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030802
4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
5-fluoro-2-(methylaminomethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030781
3-amino-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 82845301

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 60984178) is 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is Nc1cc(F)c(S(=O)(=O)NCc2cccnc2)c(F)c1.
What is the InChIKey of 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YGBLRLZXERSMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2S/c13-10-4-9(15)5-11(14)12(10)20(18,19)17-7-8-2-1-3-16-6-8/h1-6,17H,7,15H2.
What are the key properties of 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 299.30 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60984178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).