N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

C20H18FN3O3S — CID 155564220

IUPACN-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1
InChIInChI=1S/C20H18FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-13-16-5-3-15(4-6-16)12-23-20(25)17-2-1-11-22-14-17/h1-11,14,24H,12-13H2,(H,23,25)
InChIKeyPJHUOXAJXYUPHX-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.63
Rot. Bonds7

About N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155564220) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID155564220
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1
InChIInChI=1S/C20H18FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-13-16-5-3-15(4-6-16)12-23-20(25)17-2-1-11-22-14-17/h1-11,14,24H,12-13H2,(H,23,25)
InChIKeyPJHUOXAJXYUPHX-UHFFFAOYSA-N
XLogP2.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-[3,3-Bis-(4-fluorophenyl)-propyl]-nicotinamide
CID 11976535
Tubulin inhibitor 11
CID 139369407
N-[3-(4-Fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-nicotinamide
CID 44475062
N-(4-methylbenzyl)nicotinamide
CID 825463
Cnv-2197944
CID 44595848
Nicofetamide
CID 3033975
N-(2-phenylethyl)-2-(phenylsulfanyl)-5-sulfamoylpyridine-3-carboxamide
CID 44201382
N-(4,4-Diphenyl-butyl)-nicotinamide
CID 44475209
Sulfonamide deriv., 7i
CID 44520905

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (CID 155564220) is N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1)c1cccnc1.
What is the InChIKey of N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PJHUOXAJXYUPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-18-7-9-19(10-8-18)28(26,27)24-13-16-5-3-15(4-6-16)12-23-20(25)17-2-1-11-22-14-17/h1-11,14,24H,12-13H2,(H,23,25).
What are the key properties of N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155564220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).