N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide

C19H15ClN2O3S — CID 45485696

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1
InChIInChI=1S/C19H15ClN2O3S/c1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18/h2-12H,1H3,(H,22,23)
InChIKeyYSEUIWUKCXXQGI-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.06
Rot. Bonds4

About N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide

N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide (PubChem CID 45485696) has the molecular formula C19H15ClN2O3S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide
PubChem CID45485696
Molecular FormulaC19H15ClN2O3S
Molecular Weight386.86 g/mol
Exact Mass386.05
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1
InChIInChI=1S/C19H15ClN2O3S/c1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18/h2-12H,1H3,(H,22,23)
InChIKeyYSEUIWUKCXXQGI-UHFFFAOYSA-N
XLogP4.06
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.06
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)-3-methylsulfonylbenzamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide (CID 45485696) is N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide?
The InChIKey is YSEUIWUKCXXQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3S/c1-26(24,25)15-6-4-5-13(11-15)19(23)22-14-8-9-17(20)16(12-14)18-7-2-3-10-21-18/h2-12H,1H3,(H,22,23).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-3-methylsulfonylbenzamide has a molecular weight of 386.86 g/mol, XLogP of 4.06, 4 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)-3-methylsulfonylbenzamide is sourced from PubChem (CID 45485696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).