3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide

C26H23N3O5S — CID 30160867

IUPAC3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2O)c1
InChIInChI=1S/C26H23N3O5S/c1-34-24-15-6-5-13-22(24)29(18-19-9-3-2-4-10-19)35(32,33)21-12-7-11-20(17-21)26(31)28-25-23(30)14-8-16-27-25/h2-17,30H,18H2,1H3,(H,27,28,31)
InChIKeyMRXPTUGKSNATTQ-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.44
Rot. Bonds8

About 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide (PubChem CID 30160867) has the molecular formula C26H23N3O5S and a molecular weight of 489.55 g/mol. Its IUPAC name is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
PubChem CID30160867
Molecular FormulaC26H23N3O5S
Molecular Weight489.55 g/mol
Exact Mass489.14
IUPAC Name3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCOc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2O)c1
InChIInChI=1S/C26H23N3O5S/c1-34-24-15-6-5-13-22(24)29(18-19-9-3-2-4-10-19)35(32,33)21-12-7-11-20(17-21)26(31)28-25-23(30)14-8-16-27-25/h2-17,30H,18H2,1H3,(H,27,28,31)
InChIKeyMRXPTUGKSNATTQ-UHFFFAOYSA-N
XLogP4.44
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 2079702
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 24982454
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(2,5-dimethoxyphenyl)benzamide
CID 2469146
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-[4-(diethylamino)phenyl]benzamide
CID 2433943
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4832234
phenyl 3-[benzyl-(2-methoxyphenyl)sulfamoyl]benzoate
CID 2668410
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 24980717
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
3-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyphenyl)benzamide
CID 26914975
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-(3-hydroxy-2-pyridinyl)-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzamide
CID 52931748

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide (CID 30160867) is 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide is COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2O)c1.
What is the InChIKey of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
The InChIKey is MRXPTUGKSNATTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5S/c1-34-24-15-6-5-13-22(24)29(18-19-9-3-2-4-10-19)35(32,33)21-12-7-11-20(17-21)26(31)28-25-23(30)14-8-16-27-25/h2-17,30H,18H2,1H3,(H,27,28,31).
What are the key properties of 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide?
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide has a molecular weight of 489.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 30160867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).