N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide

C15H15ClFN3O3S — CID 121380214

IUPACN-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESCC(C)S(=O)(=O)Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C15H15ClFN3O3S/c1-9(2)24(22,23)20-14-7-10(5-6-18-14)15(21)19-11-3-4-13(17)12(16)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyZGGLMZVGAWFPMV-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.28
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide (PubChem CID 121380214) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
PubChem CID121380214
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
SMILESCC(C)S(=O)(=O)Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1
InChIInChI=1S/C15H15ClFN3O3S/c1-9(2)24(22,23)20-14-7-10(5-6-18-14)15(21)19-11-3-4-13(17)12(16)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyZGGLMZVGAWFPMV-UHFFFAOYSA-N
XLogP3.28
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.28
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-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449974
N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide
CID 121380288
N-(3-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62166984
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide
CID 121380279
2-(3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283339
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357
N-(3-chloro-4-fluorophenyl)-2-(2-methoxy-5-methylanilino)pyridine-4-carboxamide
CID 109177730
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide (CID 121380214) is N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide is CC(C)S(=O)(=O)Nc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide?
The InChIKey is ZGGLMZVGAWFPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c1-9(2)24(22,23)20-14-7-10(5-6-18-14)15(21)19-11-3-4-13(17)12(16)8-11/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide has a molecular weight of 371.82 g/mol, XLogP of 3.28, 5 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-(propan-2-ylsulfonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 121380214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).