3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide

C21H28ClN3O5S — CID 4878392

IUPAC3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H28ClN3O5S/c1-7-25(8-2)31(27,28)15-9-10-18(24(3)4)17(13-15)23-21(26)14-11-16(22)20(30-6)19(12-14)29-5/h9-13H,7-8H2,1-6H3,(H,23,26)
InChIKeyVHSCLYAZLBCLSI-UHFFFAOYSA-N
MW469.99 g/mol
LogP3.71
Rot. Bonds9

About 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide

3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide (PubChem CID 4878392) has the molecular formula C21H28ClN3O5S and a molecular weight of 469.99 g/mol. Its IUPAC name is 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
PubChem CID4878392
Molecular FormulaC21H28ClN3O5S
Molecular Weight469.99 g/mol
Exact Mass469.14
IUPAC Name3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H28ClN3O5S/c1-7-25(8-2)31(27,28)15-9-10-18(24(3)4)17(13-15)23-21(26)14-11-16(22)20(30-6)19(12-14)29-5/h9-13H,7-8H2,1-6H3,(H,23,26)
InChIKeyVHSCLYAZLBCLSI-UHFFFAOYSA-N
XLogP3.71
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.99
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
CID 26252009
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
CID 8960845
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5178536
6-chloro-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]pyridine-3-carboxamide
CID 8011851
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
N-[5-chloro-2-(dimethylamino)phenyl]-5-(diethylsulfamoyl)-2-fluorobenzamide
CID 55336223
3-chloro-N-[5-(diethylsulfamoyl)-3-ethyl-2-methoxyphenyl]-4-hydroxy-5-methylbenzamide
CID 142080358
3,4,5-trimethoxy-N-(2-methoxy-5-pentan-3-ylsulfonylphenyl)benzamide
CID 3256259

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide (CID 4878392) is 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1.
What is the InChIKey of 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide?
The InChIKey is VHSCLYAZLBCLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O5S/c1-7-25(8-2)31(27,28)15-9-10-18(24(3)4)17(13-15)23-21(26)14-11-16(22)20(30-6)19(12-14)29-5/h9-13H,7-8H2,1-6H3,(H,23,26).
What are the key properties of 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide?
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide has a molecular weight of 469.99 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 4878392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).