3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C22H22ClN3O4S — CID 55869321

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C)nc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O4S/c1-15-3-4-17(12-24-15)13-25-22(27)18-7-10-20(30-2)21(11-18)31(28,29)26-14-16-5-8-19(23)9-6-16/h3-12,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyVECHKFRPEBVJCN-UHFFFAOYSA-N
MW459.96 g/mol
LogP3.46
Rot. Bonds8

About 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 55869321) has the molecular formula C22H22ClN3O4S and a molecular weight of 459.96 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID55869321
Molecular FormulaC22H22ClN3O4S
Molecular Weight459.96 g/mol
Exact Mass459.10
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ccc(C)nc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C22H22ClN3O4S/c1-15-3-4-17(12-24-15)13-25-22(27)18-7-10-20(30-2)21(11-18)31(28,29)26-14-16-5-8-19(23)9-6-16/h3-12,26H,13-14H2,1-2H3,(H,25,27)
InChIKeyVECHKFRPEBVJCN-UHFFFAOYSA-N
XLogP3.46
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.96
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 55954991
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 55585722
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2,4-dimethylphenyl)-4-methoxybenzamide
CID 51545347
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 55408146
3-[(4-chlorophenyl)methylsulfamoyl]-N-(2-ethylphenyl)-4-methoxybenzamide
CID 55525275
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 55841887
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55492908
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 55869321) is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2ccc(C)nc2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is VECHKFRPEBVJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4S/c1-15-3-4-17(12-24-15)13-25-22(27)18-7-10-20(30-2)21(11-18)31(28,29)26-14-16-5-8-19(23)9-6-16/h3-12,26H,13-14H2,1-2H3,(H,25,27).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 459.96 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 55869321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).