3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide

C22H20Cl2N2O5S — CID 4795153

IUPAC3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1Cl
InChIInChI=1S/C22H20Cl2N2O5S/c1-13-7-8-15(23)10-18(13)25-22(27)14-5-4-6-16(9-14)32(28,29)26-19-11-17(24)20(30-2)12-21(19)31-3/h4-12,26H,1-3H3,(H,25,27)
InChIKeyIZRIMTLJHGVDNI-UHFFFAOYSA-N
MW495.38 g/mol
LogP5.37
Rot. Bonds7

About 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide

3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide (PubChem CID 4795153) has the molecular formula C22H20Cl2N2O5S and a molecular weight of 495.38 g/mol. Its IUPAC name is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
PubChem CID4795153
Molecular FormulaC22H20Cl2N2O5S
Molecular Weight495.38 g/mol
Exact Mass494.05
IUPAC Name3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1Cl
InChIInChI=1S/C22H20Cl2N2O5S/c1-13-7-8-15(23)10-18(13)25-22(27)14-5-4-6-16(9-14)32(28,29)26-19-11-17(24)20(30-2)12-21(19)31-3/h4-12,26H,1-3H3,(H,25,27)
InChIKeyIZRIMTLJHGVDNI-UHFFFAOYSA-N
XLogP5.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643
N-(5-chloro-2-methylphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657069
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)-4-methylbenzamide
CID 2085572
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
3-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 8504645
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
N-(5-chloro-2,4-dimethoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24644972

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide?
The IUPAC name of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide (CID 4795153) is 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide.
What is the SMILES notation for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide?
The canonical SMILES for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide is COc1cc(OC)c(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1Cl.
What is the InChIKey of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide?
The InChIKey is IZRIMTLJHGVDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O5S/c1-13-7-8-15(23)10-18(13)25-22(27)14-5-4-6-16(9-14)32(28,29)26-19-11-17(24)20(30-2)12-21(19)31-3/h4-12,26H,1-3H3,(H,25,27).
What are the key properties of 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide?
3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide has a molecular weight of 495.38 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide is sourced from PubChem (CID 4795153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).