6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

C21H20FN3O3S — CID 155511190

IUPAC6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)nc3)cc2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-15-2-9-19(10-3-15)29(27,28)25-13-17-6-4-16(5-7-17)12-24-21(26)18-8-11-20(22)23-14-18/h2-11,14,25H,12-13H2,1H3,(H,24,26)
InChIKeyGDERZCOUTYFXKI-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.94
Rot. Bonds7

About 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155511190) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID155511190
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC Name6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)nc3)cc2)cc1
InChIInChI=1S/C21H20FN3O3S/c1-15-2-9-19(10-3-15)29(27,28)25-13-17-6-4-16(5-7-17)12-24-21(26)18-8-11-20(22)23-14-18/h2-11,14,25H,12-13H2,1H3,(H,24,26)
InChIKeyGDERZCOUTYFXKI-UHFFFAOYSA-N
XLogP2.94
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Stf-31
CID 984333
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
N-hydroxy-4-({[(pyridin-3-yl)methyl][(2,3,4,5-tetrafluorophenyl)sulfonyl]amino}methyl)benzamide
CID 155144635
4-Acetyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 746813
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
CID 11976535
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-(4-methylbenzyl)nicotinamide
CID 825463
Cnv-2197944
CID 44595848
N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201382
Sulfonamide deriv., 7i
CID 44520905

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (CID 155511190) is 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccc(F)nc3)cc2)cc1.
What is the InChIKey of 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GDERZCOUTYFXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-15-2-9-19(10-3-15)29(27,28)25-13-17-6-4-16(5-7-17)12-24-21(26)18-8-11-20(22)23-14-18/h2-11,14,25H,12-13H2,1H3,(H,24,26).
What are the key properties of 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 413.47 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155511190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).