N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide

C20H17ClN2O3S — CID 58227030

IUPACN-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)nc1
InChIInChI=1S/C20H17ClN2O3S/c1-13-3-10-19(22-12-13)17-11-15(6-9-18(17)21)23-20(24)14-4-7-16(8-5-14)27(2,25)26/h3-12H,1-2H3,(H,23,24)
InChIKeyOEESJISWHREDLY-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.37
Rot. Bonds4

About N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide

N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide (PubChem CID 58227030) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide
PubChem CID58227030
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)nc1
InChIInChI=1S/C20H17ClN2O3S/c1-13-3-10-19(22-12-13)17-11-15(6-9-18(17)21)23-20(24)14-4-7-16(8-5-14)27(2,25)26/h3-12H,1-2H3,(H,23,24)
InChIKeyOEESJISWHREDLY-UHFFFAOYSA-N
XLogP4.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]thiophene-2-carboxamide
CID 58614931
N-(5-methyl-2-pyridinyl)-4-methylsulfonylbenzamide
CID 16583790
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethylsulfamoyl)benzamide
CID 58614881
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
N-(4-bromo-3-chlorophenyl)-6-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 58639494
N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfinylmethyl)benzamide
CID 143198894
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(2-methoxyethylsulfamoyl)benzamide
CID 59826546
methyl 6-[2-chloro-5-[[6-(2-fluoropropan-2-yl)-2-methylpyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 163543504
6-[2-chloro-5-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]pyridine-3-carboxylate
CID 86603991
N-[4-chloro-3-(1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)-4-methylsulfonylbenzamide
CID 50912983
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methylsulfonylethyl)benzamide
CID 66878311
2-chloro-N-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 7899858

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide (CID 58227030) is N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide is Cc1ccc(-c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)nc1.
What is the InChIKey of N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide?
The InChIKey is OEESJISWHREDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-13-3-10-19(22-12-13)17-11-15(6-9-18(17)21)23-20(24)14-4-7-16(8-5-14)27(2,25)26/h3-12H,1-2H3,(H,23,24).
What are the key properties of N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide?
N-[4-chloro-3-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide has a molecular weight of 400.89 g/mol, XLogP of 4.37, 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-(5-methyl-2-pyridinyl)phenyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 58227030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).