N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide

C22H21ClFN3O3S — CID 121380207

IUPACN-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide
SMILESCC(C)c1ccc(CS(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C22H21ClFN3O3S/c1-14(2)16-5-3-15(4-6-16)13-31(29,30)27-21-11-17(9-10-25-21)22(28)26-18-7-8-20(24)19(23)12-18/h3-12,14H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAHEBSKRPRDXTKS-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.19
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide (PubChem CID 121380207) has the molecular formula C22H21ClFN3O3S and a molecular weight of 461.95 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide
PubChem CID121380207
Molecular FormulaC22H21ClFN3O3S
Molecular Weight461.95 g/mol
Exact Mass461.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide
SMILESCC(C)c1ccc(CS(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C22H21ClFN3O3S/c1-14(2)16-5-3-15(4-6-16)13-31(29,30)27-21-11-17(9-10-25-21)22(28)26-18-7-8-20(24)19(23)12-18/h3-12,14H,13H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyAHEBSKRPRDXTKS-UHFFFAOYSA-N
XLogP5.19
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(naphthalen-2-ylmethylsulfonylamino)pyridine-4-carboxamide
CID 121380279
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfonylamino)pyridine-4-carboxamide
CID 121380214
N-(3-chloro-4-fluorophenyl)-2-(cyclopropylmethylsulfonylamino)pyridine-4-carboxamide
CID 121380288
N-(3-chloro-4-fluorophenyl)-2-(propan-2-ylsulfanylamino)pyridine-4-carboxamide
CID 130449974
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
3-chloro-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 121261386
4-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092487
N-(3-chloro-4-fluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169709
N-(3-chloro-4-fluorophenyl)-2-(2,4-difluoroanilino)pyridine-4-carboxamide
CID 109177743
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-chloro-4-fluorophenyl)pyridine-4-carboxamide
CID 109171471

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide (CID 121380207) is N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide is CC(C)c1ccc(CS(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide?
The InChIKey is AHEBSKRPRDXTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O3S/c1-14(2)16-5-3-15(4-6-16)13-31(29,30)27-21-11-17(9-10-25-21)22(28)26-18-7-8-20(24)19(23)12-18/h3-12,14H,13H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 5.19, 7 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-[(4-propan-2-ylphenyl)methylsulfonylamino]pyridine-4-carboxamide is sourced from PubChem (CID 121380207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).