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

C20H16Cl2N2O3S — CID 52944418

IUPAC2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O3S/c1-28(26,27)12-13-5-7-15(18(22)10-13)20(25)24-14-6-8-17(21)16(11-14)19-4-2-3-9-23-19/h2-11H,12H2,1H3,(H,24,25)
InChIKeySLXGDKZYPQTXBU-UHFFFAOYSA-N
MW435.33 g/mol
LogP4.85
Rot. Bonds5

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

2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 52944418) has the molecular formula C20H16Cl2N2O3S and a molecular weight of 435.33 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID52944418
Molecular FormulaC20H16Cl2N2O3S
Molecular Weight435.33 g/mol
Exact Mass434.03
IUPAC Name2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
InChIInChI=1S/C20H16Cl2N2O3S/c1-28(26,27)12-13-5-7-15(18(22)10-13)20(25)24-14-6-8-17(21)16(11-14)19-4-2-3-9-23-19/h2-11H,12H2,1H3,(H,24,25)
InChIKeySLXGDKZYPQTXBU-UHFFFAOYSA-N
XLogP4.85
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vismodegib
CID 24776445
2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)-N4-(pyridin-2-ylmethyl)terephthalamide
CID 50898449
N4-benzyl-2-chloro-N1-(4-chloro-3-(pyridin-2-yl)phenyl)terephthalamide
CID 52942245
2,6-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11503732
(S)-2,4-dichloro-N-(1-(1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)ethyl)benzamide
CID 11503999
2-chloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11517722
2,4-dichloro-N-((1-(ethylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11539784
2,4-dichloro-N-[(1S)-1-(1-ethylsulfonyl-4-pyridin-2-ylpiperidin-4-yl)ethyl]benzamide
CID 11583627
2,4-dichloro-N-((4-(4-methylpyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
CID 11620014
2,4-dichloro-N-((1-(propylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11677151
2-chloro-5-[(3-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 11682482
2,4-dichloro-N-((1-(isopropylsulfonyl)-4-(pyridin-2-yl)piperidin-4-yl)methyl)benzamide
CID 11705483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 52944418) is 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is SLXGDKZYPQTXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3S/c1-28(26,27)12-13-5-7-15(18(22)10-13)20(25)24-14-6-8-17(21)16(11-14)19-4-2-3-9-23-19/h2-11H,12H2,1H3,(H,24,25).
What are the key properties of 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 435.33 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 52944418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).