2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide

C20H25ClN2O5S — CID 46387538

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C20H25ClN2O5S/c1-5-23(6-2)29(25,26)16-9-10-18(21)17(12-16)20(24)22-13-14-7-8-15(27-3)11-19(14)28-4/h7-12H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyREEOKXKIOAZENW-UHFFFAOYSA-N
MW440.95 g/mol
LogP3.32
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 46387538) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
PubChem CID46387538
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC)cc2OC)c1
InChIInChI=1S/C20H25ClN2O5S/c1-5-23(6-2)29(25,26)16-9-10-18(21)17(12-16)20(24)22-13-14-7-8-15(27-3)11-19(14)28-4/h7-12H,5-6,13H2,1-4H3,(H,22,24)
InChIKeyREEOKXKIOAZENW-UHFFFAOYSA-N
XLogP3.32
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713234
N-[(4-butoxyphenyl)methyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387544
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476
2-chloro-5-(diethylsulfamoyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 26883565
N-cyclopropyl-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 32588710
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 46590246
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide (CID 46387538) is 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccc(OC)cc2OC)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is REEOKXKIOAZENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-5-23(6-2)29(25,26)16-9-10-18(21)17(12-16)20(24)22-13-14-7-8-15(27-3)11-19(14)28-4/h7-12H,5-6,13H2,1-4H3,(H,22,24).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 440.95 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46387538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).