3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

C14H16FN3O2S — CID 114699441

IUPAC3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H16FN3O2S/c1-10-8-17-5-4-11(10)9-18-21(19,20)13-2-3-14(15)12(6-13)7-16/h2-6,8,18H,7,9,16H2,1H3
InChIKeyUEBIGLUZNBLHPU-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.47
Rot. Bonds5

About 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114699441) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID114699441
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C14H16FN3O2S/c1-10-8-17-5-4-11(10)9-18-21(19,20)13-2-3-14(15)12(6-13)7-16/h2-6,8,18H,7,9,16H2,1H3
InChIKeyUEBIGLUZNBLHPU-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2,6-difluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698255
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814
3-(aminomethyl)-4-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378093
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701636
4-(2,4-dichlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 58108469
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
2-amino-5-bromo-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106492166
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (CID 114699441) is 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cnccc1CNS(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is UEBIGLUZNBLHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-10-8-17-5-4-11(10)9-18-21(19,20)13-2-3-14(15)12(6-13)7-16/h2-6,8,18H,7,9,16H2,1H3.
What are the key properties of 3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.47, 5 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-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114699441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).