6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

C20H17ClN2O3S — CID 52905736

IUPAC6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-2-4-15(5-3-14)12-23-20(24)16-6-11-19(22-13-16)27(25,26)18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyKBRZSCXSPAHIRP-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.81
Rot. Bonds5

About 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide

6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 52905736) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID52905736
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-2-4-15(5-3-14)12-23-20(24)16-6-11-19(22-13-16)27(25,26)18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,23,24)
InChIKeyKBRZSCXSPAHIRP-UHFFFAOYSA-N
XLogP3.81
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
CID 52905714
6-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 53002958
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
CID 98622583
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
5-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]thiadiazole-4-carboxamide
CID 170103475
3-(4-chlorophenyl)sulfonyl-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinoline-7-carboxamide
CID 54687793
6-hydrazinyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 51370237
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 52905736) is 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)nc2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is KBRZSCXSPAHIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-14-2-4-15(5-3-14)12-23-20(24)16-6-11-19(22-13-16)27(25,26)18-9-7-17(21)8-10-18/h2-11,13H,12H2,1H3,(H,23,24).
What are the key properties of 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 52905736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).