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

C21H19ClN2O3S — CID 170124259

IUPAC2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2Cl)cc1-c1ccccn1
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-8-16(12-18(14)20-5-3-4-10-23-20)24-21(25)17-9-7-15(11-19(17)22)13-28(2,26)27/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyLNMWHCDJKFSNKU-UHFFFAOYSA-N
MW414.91 g/mol
LogP4.51
Rot. Bonds5

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

2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 170124259) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID170124259
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2Cl)cc1-c1ccccn1
InChIInChI=1S/C21H19ClN2O3S/c1-14-6-8-16(12-18(14)20-5-3-4-10-23-20)24-21(25)17-9-7-15(11-19(17)22)13-28(2,26)27/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyLNMWHCDJKFSNKU-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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Related Compounds

N-(4-chloro-3-pyridin-2-ylphenyl)-2-methyl-4-(methylsulfonylmethyl)benzamide
CID 58614842
2-chloro-N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 59826557
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-6-(methylsulfonylmethyl)pyridine-3-carboxamide
CID 118014894
N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide
CID 58614661
tert-butyl N-[[3-chloro-4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 66877970
2-chloro-N-(4-chloro-3-pyridin-2-yl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-4-(trideuterio(113C)methylsulfonyl)benzamide
CID 91971550
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
3-amino-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 58614887
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-hydroxyethylsulfinyl)benzamide
CID 143198912
N-(4-chloro-3-pyridin-2-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 45485759
methyl (E)-3-[3-[[3-chloro-4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]phenyl]sulfonylmethyl]phenyl]prop-2-enoate
CID 161416397
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonylbenzamide;2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-ethylsulfonyl-2-methylbenzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 159003810

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 170124259) is 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide is Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2Cl)cc1-c1ccccn1.
What is the InChIKey of 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is LNMWHCDJKFSNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-14-6-8-16(12-18(14)20-5-3-4-10-23-20)24-21(25)17-9-7-15(11-19(17)22)13-28(2,26)27/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide?
2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-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 2-chloro-N-(4-methyl-3-pyridin-2-ylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 170124259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).