N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

C20H18FN3O3S — CID 155540254

IUPACN-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1)c1cccnc1
InChIInChI=1S/C20H18FN3O3S/c21-18-5-1-2-6-19(18)28(26,27)24-13-16-9-7-15(8-10-16)12-23-20(25)17-4-3-11-22-14-17/h1-11,14,24H,12-13H2,(H,23,25)
InChIKeyGADGWKAOJDVBMH-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.63
Rot. Bonds7

About N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide

N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 155540254) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID155540254
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1)c1cccnc1
InChIInChI=1S/C20H18FN3O3S/c21-18-5-1-2-6-19(18)28(26,27)24-13-16-9-7-15(8-10-16)12-23-20(25)17-4-3-11-22-14-17/h1-11,14,24H,12-13H2,(H,23,25)
InChIKeyGADGWKAOJDVBMH-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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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide (CID 155540254) is N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1)c1cccnc1.
What is the InChIKey of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is GADGWKAOJDVBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c21-18-5-1-2-6-19(18)28(26,27)24-13-16-9-7-15(8-10-16)12-23-20(25)17-4-3-11-22-14-17/h1-11,14,24H,12-13H2,(H,23,25).
What are the key properties of N-[[4-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[[4-[[(2-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-[[(2-fluorophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 155540254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).