2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide

C14H16FN3O2S — CID 106021137

IUPAC2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1CN)c1cccnc1
InChIInChI=1S/C14H16FN3O2S/c1-10(12-3-2-6-17-9-12)18-21(19,20)14-7-13(15)5-4-11(14)8-16/h2-7,9-10,18H,8,16H2,1H3
InChIKeySVCYOXQAYSBOPZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.72
Rot. Bonds5

About 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 106021137) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID106021137
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(F)ccc1CN)c1cccnc1
InChIInChI=1S/C14H16FN3O2S/c1-10(12-3-2-6-17-9-12)18-21(19,20)14-7-13(15)5-4-11(14)8-16/h2-7,9-10,18H,8,16H2,1H3
InChIKeySVCYOXQAYSBOPZ-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

3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295
2,4,5-trifluoro-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 95310179
2,4,5-trimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 71954745
2-fluoro-4,5-dimethoxy-N-[(1S)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 35312001
2-(aminomethyl)-5-fluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 114141046
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965
2,6-difluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 47111106
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
2,3-dichloro-N-[(1R)-1-pyridin-3-ylethyl]benzenesulfonamide
CID 40673104
2-(1-pyridin-3-ylethylsulfamoyl)benzenecarbothioamide
CID 43523803
2,3,5,6-tetrafluoro-4-methoxy-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 18194304
5-bromo-4-[[(1R)-1-pyridin-3-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81391806

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 106021137) is 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1cc(F)ccc1CN)c1cccnc1.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is SVCYOXQAYSBOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10(12-3-2-6-17-9-12)18-21(19,20)14-7-13(15)5-4-11(14)8-16/h2-7,9-10,18H,8,16H2,1H3.
What are the key properties of 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide 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 2-(aminomethyl)-5-fluoro-N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 106021137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).