2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C21H20N2O5S — CID 1226628

IUPAC2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C21H20N2O5S/c1-27-17-11-7-16(8-12-17)23-29(25,26)18-13-9-15(10-14-18)22-21(24)19-5-3-4-6-20(19)28-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyPLFHSVBLONQWLZ-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.76
Rot. Bonds7

About 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 1226628) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID1226628
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C21H20N2O5S/c1-27-17-11-7-16(8-12-17)23-29(25,26)18-13-9-15(10-14-18)22-21(24)19-5-3-4-6-20(19)28-2/h3-14,23H,1-2H3,(H,22,24)
InChIKeyPLFHSVBLONQWLZ-UHFFFAOYSA-N
XLogP3.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855
5-bromo-2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17094200
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882655
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2,3-dimethoxybenzamide
CID 100530694
3-(2-methoxyphenyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 5114432
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347
2-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide
CID 8000793

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 1226628) is 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC)cc2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is PLFHSVBLONQWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c1-27-17-11-7-16(8-12-17)23-29(25,26)18-13-9-15(10-14-18)22-21(24)19-5-3-4-6-20(19)28-2/h3-14,23H,1-2H3,(H,22,24).
What are the key properties of 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 412.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 1226628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).