N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide

C20H18FN3O3S — CID 159070876

IUPACN-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide
SMILESNCC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C20H18FN3O3S/c21-17-3-1-4-18(11-17)24(28(26,27)19-5-2-10-23-13-19)14-15-6-8-16(9-7-15)20(25)12-22/h1-11,13H,12,14,22H2
InChIKeyAMYCIWBTEBOPSR-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.76
Rot. Bonds7

About N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide

N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide (PubChem CID 159070876) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide
PubChem CID159070876
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide
SMILESNCC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccnc2)cc1
InChIInChI=1S/C20H18FN3O3S/c21-17-3-1-4-18(11-17)24(28(26,27)19-5-2-10-23-13-19)14-15-6-8-16(9-7-15)20(25)12-22/h1-11,13H,12,14,22H2
InChIKeyAMYCIWBTEBOPSR-UHFFFAOYSA-N
XLogP2.76
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-fluoro-N-pyridin-3-ylsulfonylanilino)methyl]benzoate
CID 174898574
N-(3-fluorophenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46152490
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-pyridin-3-ylmethanesulfonamide;methyl 4-[[methylsulfonyl(pyridin-3-yl)amino]methyl]benzoate
CID 160538872
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxyazetidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
CID 66648190
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-(3-fluorophenyl)-3-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 42841886
methyl 4-[(3-fluoro-N-pyridin-3-ylsulfanylanilino)methyl]benzoate
CID 145239047
N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 110360783
N-[(4-chlorophenyl)methyl]-N-[3-(3-hydroxypiperidine-1-carbonyl)phenyl]pyridine-3-sulfonamide
CID 67319655
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
4-fluoro-N-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 42841605

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide (CID 159070876) is N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide is NCC(=O)c1ccc(CN(c2cccc(F)c2)S(=O)(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide?
The InChIKey is AMYCIWBTEBOPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-17-3-1-4-18(11-17)24(28(26,27)19-5-2-10-23-13-19)14-15-6-8-16(9-7-15)20(25)12-22/h1-11,13H,12,14,22H2.
What are the key properties of N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide?
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide has a molecular weight of 399.45 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)phenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 159070876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).