3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C14H16FN3O2S — CID 63287946

IUPAC3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NCCc2ccccn2)ccc1F
InChIInChI=1S/C14H16FN3O2S/c15-14-5-4-13(9-11(14)10-16)21(19,20)18-8-6-12-3-1-2-7-17-12/h1-5,7,9,18H,6,8,10,16H2
InChIKeyJOXAUQULQDOQLE-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.20
Rot. Bonds6

About 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 63287946) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID63287946
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESNCc1cc(S(=O)(=O)NCCc2ccccn2)ccc1F
InChIInChI=1S/C14H16FN3O2S/c15-14-5-4-13(9-11(14)10-16)21(19,20)18-8-6-12-3-1-2-7-17-12/h1-5,7,9,18H,6,8,10,16H2
InChIKeyJOXAUQULQDOQLE-UHFFFAOYSA-N
XLogP1.20
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3799880
9,10-dioxo-N-(2-pyridin-2-ylethyl)anthracene-2-sulfonamide
CID 3694272
2-amino-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 62149419
3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 172813710
5-(2-pyridin-2-ylethylsulfamoyl)pyridine-2-carbothioamide
CID 114614071
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonylamino]ethylurea
CID 83117043
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 28716684
3-(2-pyridin-2-ylethylsulfamoyl)benzenecarbothioamide
CID 29293837
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 63287946) is 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is NCc1cc(S(=O)(=O)NCCc2ccccn2)ccc1F.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is JOXAUQULQDOQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c15-14-5-4-13(9-11(14)10-16)21(19,20)18-8-6-12-3-1-2-7-17-12/h1-5,7,9,18H,6,8,10,16H2.
What are the key properties of 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 63287946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).