N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide

C13H14FN3O2S — CID 103298978

IUPACN-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H14FN3O2S/c1-9(15)10-4-6-11(7-5-10)17-20(18,19)13-12(14)3-2-8-16-13/h2-9,17H,15H2,1H3
InChIKeyQYOUEMTWZDJKPY-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.04
Rot. Bonds4

About N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide

N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide (PubChem CID 103298978) has the molecular formula C13H14FN3O2S and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide
PubChem CID103298978
Molecular FormulaC13H14FN3O2S
Molecular Weight295.34 g/mol
Exact Mass295.08
IUPAC NameN-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide
SMILESCC(N)c1ccc(NS(=O)(=O)c2ncccc2F)cc1
InChIInChI=1S/C13H14FN3O2S/c1-9(15)10-4-6-11(7-5-10)17-20(18,19)13-12(14)3-2-8-16-13/h2-9,17H,15H2,1H3
InChIKeyQYOUEMTWZDJKPY-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

4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300634
N-[4-(2-aminoethoxy)phenyl]-3-fluoropyridine-2-sulfonamide
CID 103298449
N-(2-chloropropyl)-3-fluoropyridine-2-sulfonamide
CID 103308189
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
3-fluoro-N-naphthalen-2-ylpyridine-2-sulfonamide
CID 103299396
N-[6-(dimethylamino)-3-pyridinyl]-3-fluoropyridine-2-sulfonamide
CID 103299543
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(4-amino-2,6-dimethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103298617
N-(2,6-diethylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299092
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
N-(2-bromobutyl)-3-fluoropyridine-2-sulfonamide
CID 103308428

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide (CID 103298978) is N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide is CC(N)c1ccc(NS(=O)(=O)c2ncccc2F)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide?
The InChIKey is QYOUEMTWZDJKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2S/c1-9(15)10-4-6-11(7-5-10)17-20(18,19)13-12(14)3-2-8-16-13/h2-9,17H,15H2,1H3.
What are the key properties of N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide?
N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide 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 N-[4-(1-aminoethyl)phenyl]-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).