N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine

C17H21FN3O3S+ — CID 9195406

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1
InChIInChI=1S/C17H20FN3O3S/c1-20(13-14-2-4-15(18)5-3-14)17-7-6-16(12-19-17)25(22,23)21-8-10-24-11-9-21/h2-7,12H,8-11,13H2,1H3/p+1
InChIKeyQILQTHZXWWVBBD-UHFFFAOYSA-O
MW366.44 g/mol
LogP1.30
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine

N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (PubChem CID 9195406) has the molecular formula C17H21FN3O3S+ and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
PubChem CID9195406
Molecular FormulaC17H21FN3O3S+
Molecular Weight366.44 g/mol
Exact Mass366.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine
SMILESCN(Cc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1
InChIInChI=1S/C17H20FN3O3S/c1-20(13-14-2-4-15(18)5-3-14)17-7-6-16(12-19-17)25(22,23)21-8-10-24-11-9-21/h2-7,12H,8-11,13H2,1H3/p+1
InChIKeyQILQTHZXWWVBBD-UHFFFAOYSA-O
XLogP1.30
TPSA63.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 8502036
N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)pyridin-1-ium-2-amine
CID 9113165
4-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridin-1-ium-3-yl]sulfonylmorpholine
CID 9281205
N-(2,5-dimethylphenyl)-2-[methyl-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]acetamide
CID 9110844
N-benzyl-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 9336448
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9195190
N-[(4-fluorophenyl)methyl]-N-methyl-4-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-nitroaniline
CID 9183758
2-[(4-fluorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149588
6-[methyl-[(4-morpholin-4-ylsulfonylphenyl)methyl]amino]-1H-benzo[cd]indol-2-one
CID 15169663
4-(6-piperidin-1-ylpyridin-1-ium-3-yl)sulfonylmorpholine
CID 9196183
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 43874406
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine (CID 9195406) is N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is CN(Cc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)c[nH+]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
The InChIKey is QILQTHZXWWVBBD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H20FN3O3S/c1-20(13-14-2-4-15(18)5-3-14)17-7-6-16(12-19-17)25(22,23)21-8-10-24-11-9-21/h2-7,12H,8-11,13H2,1H3/p+1.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine?
N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine has a molecular weight of 366.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-5-morpholin-4-ylsulfonylpyridin-1-ium-2-amine is sourced from PubChem (CID 9195406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).