N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide

C23H17ClFN3O3S — CID 121380279

IUPACN-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NS(=O)(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H17ClFN3O3S/c24-20-13-19(7-8-21(20)25)27-23(29)18-9-10-26-22(12-18)28-32(30,31)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-13H,14H2,(H,26,28)(H,27,29)
InChIKeyPMYFJVJDXWHMGN-UHFFFAOYSA-N
MW469.93 g/mol
LogP5.22
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide (PubChem CID 121380279) has the molecular formula C23H17ClFN3O3S and a molecular weight of 469.93 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide
PubChem CID121380279
Molecular FormulaC23H17ClFN3O3S
Molecular Weight469.93 g/mol
Exact Mass469.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NS(=O)(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H17ClFN3O3S/c24-20-13-19(7-8-21(20)25)27-23(29)18-9-10-26-22(12-18)28-32(30,31)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-13H,14H2,(H,26,28)(H,27,29)
InChIKeyPMYFJVJDXWHMGN-UHFFFAOYSA-N
XLogP5.22
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.93
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide
CID 121380207
N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide
CID 121380288
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
CID 121380214
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172559
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449974
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
2-hydrazinyl-N-naphthalen-2-ylpyridine-4-carboxamide
CID 62248189
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
4-N-(3-chloro-4-fluorophenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092643

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide (CID 121380279) is N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccnc(NS(=O)(=O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is PMYFJVJDXWHMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3S/c24-20-13-19(7-8-21(20)25)27-23(29)18-9-10-26-22(12-18)28-32(30,31)14-15-5-6-16-3-1-2-4-17(16)11-15/h1-13H,14H2,(H,26,28)(H,27,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 121380279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).