N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide

C20H20ClN3O3S — CID 16659791

IUPACN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(NC(=O)N2C=CC=CC2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-28(26,27)24(15-16-7-3-4-8-19(16)21)18-11-9-17(10-12-18)22-20(25)23-13-5-2-6-14-23/h2-13H,14-15H2,1H3,(H,22,25)
InChIKeyPPFVMNRCTBDWCH-UHFFFAOYSA-N
MW417.92 g/mol
LogP4.22
Rot. Bonds5

About N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide

N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide (PubChem CID 16659791) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide
PubChem CID16659791
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(NC(=O)N2C=CC=CC2)cc1
InChIInChI=1S/C20H20ClN3O3S/c1-28(26,27)24(15-16-7-3-4-8-19(16)21)18-11-9-17(10-12-18)22-20(25)23-13-5-2-6-14-23/h2-13H,14-15H2,1H3,(H,22,25)
InChIKeyPPFVMNRCTBDWCH-UHFFFAOYSA-N
XLogP4.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide (CID 16659791) is N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(NC(=O)N2C=CC=CC2)cc1.
What is the InChIKey of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide?
The InChIKey is PPFVMNRCTBDWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3S/c1-28(26,27)24(15-16-7-3-4-8-19(16)21)18-11-9-17(10-12-18)22-20(25)23-13-5-2-6-14-23/h2-13H,14-15H2,1H3,(H,22,25).
What are the key properties of N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide?
N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide has a molecular weight of 417.92 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenyl]-2H-pyridine-1-carboxamide is sourced from PubChem (CID 16659791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).