N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide

C12H12FN3O2S — CID 82343421

IUPACN-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O2S/c13-9-4-6-11(7-5-9)19(17,18)16-12-3-1-2-10(8-14)15-12/h1-7H,8,14H2,(H,15,16)
InChIKeyWEXJBEKSOOUPGA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.48
Rot. Bonds4

About N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide

N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 82343421) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID82343421
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC NameN-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESNCc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN3O2S/c13-9-4-6-11(7-5-9)19(17,18)16-12-3-1-2-10(8-14)15-12/h1-7H,8,14H2,(H,15,16)
InChIKeyWEXJBEKSOOUPGA-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide (CID 82343421) is N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide is NCc1cccc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is WEXJBEKSOOUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-9-4-6-11(7-5-9)19(17,18)16-12-3-1-2-10(8-14)15-12/h1-7H,8,14H2,(H,15,16).
What are the key properties of N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide?
N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 281.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(aminomethyl)-2-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 82343421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).