3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide

C23H23ClN2O6S — CID 26642074

IUPAC3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)ccc2C)cc1
InChIInChI=1S/C23H23ClN2O6S/c1-14-5-6-17(25-23(27)15-11-19(24)22(32-4)20(12-15)31-3)13-21(14)33(28,29)26-16-7-9-18(30-2)10-8-16/h5-13,26H,1-4H3,(H,25,27)
InChIKeyAYUIPIUBMFHEFB-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.73
Rot. Bonds8

About 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide

3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide (PubChem CID 26642074) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
PubChem CID26642074
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC Name3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)ccc2C)cc1
InChIInChI=1S/C23H23ClN2O6S/c1-14-5-6-17(25-23(27)15-11-19(24)22(32-4)20(12-15)31-3)13-21(14)33(28,29)26-16-7-9-18(30-2)10-8-16/h5-13,26H,1-4H3,(H,25,27)
InChIKeyAYUIPIUBMFHEFB-UHFFFAOYSA-N
XLogP4.73
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4,5-dimethoxy-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 26877954
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
CID 26642328
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
4-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 71904035
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
CID 26642387
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
3,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851473
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
N-(3-chloro-4-methylphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 55347676
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide (CID 26642074) is 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)ccc2C)cc1.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
The InChIKey is AYUIPIUBMFHEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-14-5-6-17(25-23(27)15-11-19(24)22(32-4)20(12-15)31-3)13-21(14)33(28,29)26-16-7-9-18(30-2)10-8-16/h5-13,26H,1-4H3,(H,25,27).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide?
3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide has a molecular weight of 490.97 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide is sourced from PubChem (CID 26642074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).