3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

C13H14FN3O2S — CID 107595189

IUPAC3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C13H14FN3O2S/c1-9(15)10-3-2-4-11(7-10)20(18,19)17-13-5-6-16-8-12(13)14/h2-9H,15H2,1H3,(H,16,17)
InChIKeyAIKGXUMLAHBMJD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.04
Rot. Bonds4

About 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide

3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (PubChem CID 107595189) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
PubChem CID107595189
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC Name3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
SMILESCC(N)c1cccc(S(=O)(=O)Nc2ccncc2F)c1
InChIInChI=1S/C13H14FN3O2S/c1-9(15)10-3-2-4-11(7-10)20(18,19)17-13-5-6-16-8-12(13)14/h2-9H,15H2,1H3,(H,16,17)
InChIKeyAIKGXUMLAHBMJD-UHFFFAOYSA-N
XLogP2.04
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-fluoro-4-pyridinyl)benzenesulfonamide
CID 103943790
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021
N-(3-fluoro-4-pyridinyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 122135835
3-(1-aminoethyl)-N-(4-bromo-3-fluorophenyl)benzenesulfonamide
CID 65437568
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyridin-3-ylethyl)benzamide
CID 24642262
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 43094459
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43107586
5-bromo-N-(3-fluoro-4-pyridinyl)pyridine-3-sulfonamide
CID 103943788

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide (CID 107595189) is 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is CC(N)c1cccc(S(=O)(=O)Nc2ccncc2F)c1.
What is the InChIKey of 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
The InChIKey is AIKGXUMLAHBMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9(15)10-3-2-4-11(7-10)20(18,19)17-13-5-6-16-8-12(13)14/h2-9H,15H2,1H3,(H,16,17).
What are the key properties of 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide?
3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N-(3-fluoro-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107595189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).