4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

C22H20Cl2N2O5S — CID 55349910

IUPAC4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1OC
InChIInChI=1S/C22H20Cl2N2O5S/c1-30-19-10-3-14(11-20(19)31-2)13-25-22(27)15-4-7-17(8-5-15)26-32(28,29)21-12-16(23)6-9-18(21)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyMMDKZCRCPWIKIW-UHFFFAOYSA-N
MW495.38 g/mol
LogP4.74
Rot. Bonds8

About 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide

4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 55349910) has the molecular formula C22H20Cl2N2O5S and a molecular weight of 495.38 g/mol. Its IUPAC name is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
PubChem CID55349910
Molecular FormulaC22H20Cl2N2O5S
Molecular Weight495.38 g/mol
Exact Mass494.05
IUPAC Name4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1OC
InChIInChI=1S/C22H20Cl2N2O5S/c1-30-19-10-3-14(11-20(19)31-2)13-25-22(27)15-4-7-17(8-5-15)26-32(28,29)21-12-16(23)6-9-18(21)24/h3-12,26H,13H2,1-2H3,(H,25,27)
InChIKeyMMDKZCRCPWIKIW-UHFFFAOYSA-N
XLogP4.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92671439
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771161
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 31540732
4-[(2-chloro-5-nitrophenyl)sulfonylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 3370322
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 3595994
4-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-hydroxypropyl)benzamide
CID 78803253
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-[[3-(methylcarbamoyl)phenyl]methyl]benzamide
CID 30858884
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 30391343
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 39207534

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide (CID 55349910) is 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1OC.
What is the InChIKey of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is MMDKZCRCPWIKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5S/c1-30-19-10-3-14(11-20(19)31-2)13-25-22(27)15-4-7-17(8-5-15)26-32(28,29)21-12-16(23)6-9-18(21)24/h3-12,26H,13H2,1-2H3,(H,25,27).
What are the key properties of 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide?
4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 495.38 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dichlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 55349910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).