6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide

C14H16FN3O2S — CID 114613295

IUPAC6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)nc1)c1ccccc1F
InChIInChI=1S/C14H16FN3O2S/c1-10(13-4-2-3-5-14(13)15)18-21(19,20)12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,8,16H2,1H3
InChIKeyDWXRBYFWFWBOOS-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.72
Rot. Bonds5

About 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide

6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 114613295) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
PubChem CID114613295
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CN)nc1)c1ccccc1F
InChIInChI=1S/C14H16FN3O2S/c1-10(13-4-2-3-5-14(13)15)18-21(19,20)12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,8,16H2,1H3
InChIKeyDWXRBYFWFWBOOS-UHFFFAOYSA-N
XLogP1.72
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]pyridine-3-sulfonamide
CID 114613294
2-amino-N-[1-(2-fluorophenyl)ethyl]pyrimidine-5-sulfonamide
CID 62156754
6-cyano-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 115602456
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153
5,6-dichloro-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64608562
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
6-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 114613735
N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
6-(aminomethyl)-N-(2-fluoro-6-methylphenyl)pyridine-3-sulfonamide
CID 114613769
6-(aminomethyl)-N-(2-phenylpropyl)pyridine-3-sulfonamide
CID 114613731
2-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 62057730
2-amino-4-chloro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61107213

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide (CID 114613295) is 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1ccc(CN)nc1)c1ccccc1F.
What is the InChIKey of 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is DWXRBYFWFWBOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10(13-4-2-3-5-14(13)15)18-21(19,20)12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,8,16H2,1H3.
What are the key properties of 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide?
6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114613295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).