2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

C13H20FN3O3S — CID 79078860

IUPAC2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2cccc(F)c2CN)C1
InChIInChI=1S/C13H20FN3O3S/c1-17-5-6-20-10(9-17)8-16-21(18,19)13-4-2-3-12(14)11(13)7-15/h2-4,10,16H,5-9,15H2,1H3
InChIKeyPKNGUPBHWGFRQA-UHFFFAOYSA-N
MW317.39 g/mol
LogP-0.11
Rot. Bonds5

About 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide

2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (PubChem CID 79078860) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
PubChem CID79078860
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
SMILESCN1CCOC(CNS(=O)(=O)c2cccc(F)c2CN)C1
InChIInChI=1S/C13H20FN3O3S/c1-17-5-6-20-10(9-17)8-16-21(18,19)13-4-2-3-12(14)11(13)7-15/h2-4,10,16H,5-9,15H2,1H3
InChIKeyPKNGUPBHWGFRQA-UHFFFAOYSA-N
XLogP-0.11
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 81245074
4-(aminomethyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 106997035
4-bromo-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 116528706
5-amino-2,3-difluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79080372
2-amino-4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083271
1-[2-(aminomethyl)phenyl]-N-[(4-methylmorpholin-2-yl)methyl]methanesulfonamide
CID 79079333
5-amino-4-bromo-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 114625895
3-(1-aminoethyl)-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79083047
5-bromo-4-[(4-methylmorpholin-2-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 79079920
3-[(4-methylmorpholin-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 79083016
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylethanesulfonamide
CID 110710282

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide (CID 79078860) is 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is CN1CCOC(CNS(=O)(=O)c2cccc(F)c2CN)C1.
What is the InChIKey of 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
The InChIKey is PKNGUPBHWGFRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-17-5-6-20-10(9-17)8-16-21(18,19)13-4-2-3-12(14)11(13)7-15/h2-4,10,16H,5-9,15H2,1H3.
What are the key properties of 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide?
2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide has a molecular weight of 317.39 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 79078860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).