N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide

C19H16ClN3O4S — CID 24743430

IUPACN-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(Oc3ncccn3)c2)c(Cl)c1
InChIInChI=1S/C19H16ClN3O4S/c1-28(25,26)16-7-6-14(17(20)11-16)12-23-18(24)13-4-2-5-15(10-13)27-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyMWORKGPZBABQBH-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.26
Rot. Bonds6

About N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide

N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide (PubChem CID 24743430) has the molecular formula C19H16ClN3O4S and a molecular weight of 417.87 g/mol. Its IUPAC name is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
PubChem CID24743430
Molecular FormulaC19H16ClN3O4S
Molecular Weight417.87 g/mol
Exact Mass417.06
IUPAC NameN-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)c2cccc(Oc3ncccn3)c2)c(Cl)c1
InChIInChI=1S/C19H16ClN3O4S/c1-28(25,26)16-7-6-14(17(20)11-16)12-23-18(24)13-4-2-5-15(10-13)27-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24)
InChIKeyMWORKGPZBABQBH-UHFFFAOYSA-N
XLogP3.26
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-4-methylsulfonylphenyl)methyl]-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 24742160
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chlorophenyl)methyl]-3-ethoxybenzamide
CID 2971835
N-[[2-(3-methoxyphenyl)-5-methylsulfonylphenyl]methyl]pyridine-3-carboxamide
CID 140571949
N-[(2-chlorophenyl)methyl]-3-(6-methylpyridazin-3-yl)oxybenzamide
CID 70703420
N-[(2,4-dichlorophenyl)methyl]-2-(3-methylsulfanylphenoxy)pyridine-4-carboxamide
CID 143531022
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
N-[(2-chlorophenyl)methyl]-3-(2-methylprop-2-enoxy)benzamide
CID 17194215
3-(2-amino-2-oxoethoxy)-N-[(2-chlorophenyl)methyl]benzamide
CID 35558245
N-[(2-chlorophenyl)methyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55772208
N-(3-imidazol-1-ylpropyl)-3-pyrimidin-2-yloxybenzamide
CID 52992825
3-methoxy-N-[[2-(4-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148255

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide (CID 24743430) is N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide is CS(=O)(=O)c1ccc(CNC(=O)c2cccc(Oc3ncccn3)c2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
The InChIKey is MWORKGPZBABQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O4S/c1-28(25,26)16-7-6-14(17(20)11-16)12-23-18(24)13-4-2-5-15(10-13)27-19-21-8-3-9-22-19/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide?
N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide has a molecular weight of 417.87 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylsulfonylphenyl)methyl]-3-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 24743430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).