N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide

C21H19ClN2O3S — CID 58614842

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCc1cc(CS(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-11-15(13-28(2,26)27)6-8-17(14)21(25)24-16-7-9-19(22)18(12-16)20-5-3-4-10-23-20/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyQHSHUJQQJWLTFV-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.51
Rot. Bonds5

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide (PubChem CID 58614842) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
PubChem CID58614842
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
SMILESCc1cc(CS(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C21H19ClN2O3S/c1-14-11-15(13-28(2,26)27)6-8-17(14)21(25)24-16-7-9-19(22)18(12-16)20-5-3-4-10-23-20/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyQHSHUJQQJWLTFV-UHFFFAOYSA-N
XLogP4.51
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.91
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide (CID 58614842) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide is Cc1cc(CS(C)(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide?
The InChIKey is QHSHUJQQJWLTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-11-15(13-28(2,26)27)6-8-17(14)21(25)24-16-7-9-19(22)18(12-16)20-5-3-4-10-23-20/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide has a molecular weight of 414.91 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 58614842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).