N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide

C14H16FN3O2S — CID 103298460

IUPACN-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide
SMILESCCN(c1ccc(CN)cc1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H16FN3O2S/c1-2-18(12-7-5-11(10-16)6-8-12)21(19,20)14-13(15)4-3-9-17-14/h3-9H,2,10,16H2,1H3
InChIKeyHSIQUAAWMWZLNV-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide

N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide (PubChem CID 103298460) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide
PubChem CID103298460
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide
SMILESCCN(c1ccc(CN)cc1)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C14H16FN3O2S/c1-2-18(12-7-5-11(10-16)6-8-12)21(19,20)14-13(15)4-3-9-17-14/h3-9H,2,10,16H2,1H3
InChIKeyHSIQUAAWMWZLNV-UHFFFAOYSA-N
XLogP1.89
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299977
N-[[3-(aminomethyl)phenyl]methyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298452
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
CID 43275766
N-(3-aminopropyl)-3-fluoro-N-(2-methylpropyl)pyridine-2-sulfonamide
CID 103298483
3-fluoro-N,N-dipentylpyridine-2-sulfonamide
CID 103299737
N-cyclopropyl-3-fluoro-N-propylpyridine-2-sulfonamide
CID 103299212
N-ethyl-3-fluoro-N-[(2-methylphenyl)methyl]pyridine-2-sulfonamide
CID 103299471
N-[4-(aminomethyl)phenyl]-N-propylpyridine-3-sulfonamide
CID 43275778
3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-sulfonamide
CID 103300378
3-fluoro-N-(4-methoxyphenyl)-N-methylpyridine-2-sulfonamide
CID 103299968
3-fluoro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-2-sulfonamide
CID 103299462
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
CID 103299973

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide (CID 103298460) is N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide is CCN(c1ccc(CN)cc1)S(=O)(=O)c1ncccc1F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide?
The InChIKey is HSIQUAAWMWZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-2-18(12-7-5-11(10-16)6-8-12)21(19,20)14-13(15)4-3-9-17-14/h3-9H,2,10,16H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide?
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103298460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).