N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide

C11H10FN3O2S — CID 56965955

IUPACN-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H3,13,14,15)
InChIKeyRMLZUMIBXDAAKA-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.60
Rot. Bonds3

About N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide

N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide (PubChem CID 56965955) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide
PubChem CID56965955
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC NameN-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C11H10FN3O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H3,13,14,15)
InChIKeyRMLZUMIBXDAAKA-UHFFFAOYSA-N
XLogP1.60
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide (CID 56965955) is N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide is Nc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide?
The InChIKey is RMLZUMIBXDAAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-8-4-6-9(7-5-8)18(16,17)15-11-3-1-2-10(13)14-11/h1-7H,(H3,13,14,15).
What are the key properties of N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide?
N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide has a molecular weight of 267.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2-pyridinyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 56965955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).