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

C19H23ClN2O5S — CID 26252009

IUPAC3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H23ClN2O5S/c1-5-22(6-2)28(24,25)15-9-7-8-14(12-15)21-19(23)13-10-16(20)18(27-4)17(11-13)26-3/h7-12H,5-6H2,1-4H3,(H,21,23)
InChIKeyLFHMPPJOTVWRNE-UHFFFAOYSA-N
MW426.92 g/mol
LogP3.64
Rot. Bonds8

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

3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide (PubChem CID 26252009) has the molecular formula C19H23ClN2O5S and a molecular weight of 426.92 g/mol. Its IUPAC name is 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
PubChem CID26252009
Molecular FormulaC19H23ClN2O5S
Molecular Weight426.92 g/mol
Exact Mass426.10
IUPAC Name3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1
InChIInChI=1S/C19H23ClN2O5S/c1-5-22(6-2)28(24,25)15-9-7-8-14(12-15)21-19(23)13-10-16(20)18(27-4)17(11-13)26-3/h7-12H,5-6H2,1-4H3,(H,21,23)
InChIKeyLFHMPPJOTVWRNE-UHFFFAOYSA-N
XLogP3.64
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4,5-dimethoxy-N-(3-sulfamoylphenyl)benzamide
CID 9413012
N-[3-(butylsulfamoyl)phenyl]-3-chloro-4,5-dimethoxybenzamide
CID 27992662
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
CID 4878392
3-chloro-N-(3-iodophenyl)-4,5-dimethoxybenzamide
CID 3543943
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 100560021
3-chloro-N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4,5-dimethoxybenzamide
CID 43068667
N-[3-(diethylsulfamoyl)phenyl]-3-(methoxymethyl)benzamide
CID 8777307
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-[3-(benzenesulfonamido)-4-methylphenyl]-3-chloro-4,5-dimethoxybenzamide
CID 46465633
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide?
The IUPAC name of 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide (CID 26252009) is 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide?
The canonical SMILES for 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide?
The InChIKey is LFHMPPJOTVWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5S/c1-5-22(6-2)28(24,25)15-9-7-8-14(12-15)21-19(23)13-10-16(20)18(27-4)17(11-13)26-3/h7-12H,5-6H2,1-4H3,(H,21,23).
What are the key properties of 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide?
3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide has a molecular weight of 426.92 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(diethylsulfamoyl)phenyl]-4,5-dimethoxybenzamide is sourced from PubChem (CID 26252009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).