N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide

C21H18Cl2N2O5S — CID 27256046

IUPACN-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O5S/c1-29-19-9-7-15(12-17(19)23)24-21(26)13-4-3-5-16(10-13)31(27,28)25-18-11-14(22)6-8-20(18)30-2/h3-12,25H,1-2H3,(H,24,26)
InChIKeyJMKQMYWARCZIQS-UHFFFAOYSA-N
MW481.36 g/mol
LogP5.06
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide

N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 27256046) has the molecular formula C21H18Cl2N2O5S and a molecular weight of 481.36 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID27256046
Molecular FormulaC21H18Cl2N2O5S
Molecular Weight481.36 g/mol
Exact Mass480.03
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O5S/c1-29-19-9-7-15(12-17(19)23)24-21(26)13-4-3-5-16(10-13)31(27,28)25-18-11-14(22)6-8-20(18)30-2/h3-12,25H,1-2H3,(H,24,26)
InChIKeyJMKQMYWARCZIQS-UHFFFAOYSA-N
XLogP5.06
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.36
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
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-2,4-dimethoxyphenyl)sulfamoyl]-N-(5-chloro-2-methylphenyl)benzamide
CID 4795153
N-(3,4-dichlorophenyl)-3-[(3,5-dichlorophenyl)sulfonylamino]-4-methoxybenzamide
CID 18626055
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
3-cyano-N-[3-[(3,4-dichlorophenyl)sulfonylamino]-4-methoxyphenyl]benzamide
CID 35864739
N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538254
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide (CID 27256046) is N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is JMKQMYWARCZIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O5S/c1-29-19-9-7-15(12-17(19)23)24-21(26)13-4-3-5-16(10-13)31(27,28)25-18-11-14(22)6-8-20(18)30-2/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide?
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 481.36 g/mol, XLogP of 5.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 27256046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).