2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide

C19H21Cl3N2O3S — CID 60566384

IUPAC2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H21Cl3N2O3S/c1-3-24(4-2)28(26,27)13-8-9-18(22)15(12-13)19(25)23-11-10-14-16(20)6-5-7-17(14)21/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,25)
InChIKeyJNNDWQVUILIZCI-UHFFFAOYSA-N
MW463.81 g/mol
LogP4.65
Rot. Bonds8

About 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide

2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide (PubChem CID 60566384) has the molecular formula C19H21Cl3N2O3S and a molecular weight of 463.81 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
PubChem CID60566384
Molecular FormulaC19H21Cl3N2O3S
Molecular Weight463.81 g/mol
Exact Mass462.03
IUPAC Name2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C19H21Cl3N2O3S/c1-3-24(4-2)28(26,27)13-8-9-18(22)15(12-13)19(25)23-11-10-14-16(20)6-5-7-17(14)21/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,25)
InChIKeyJNNDWQVUILIZCI-UHFFFAOYSA-N
XLogP4.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
2-chloro-5-(diethylsulfamoyl)-N-(3-phenylsulfanylpropyl)benzamide
CID 27828585
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803113
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
methyl 6-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]hexanoate
CID 31839407
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide (CID 60566384) is 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide?
The InChIKey is JNNDWQVUILIZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl3N2O3S/c1-3-24(4-2)28(26,27)13-8-9-18(22)15(12-13)19(25)23-11-10-14-16(20)6-5-7-17(14)21/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,25).
What are the key properties of 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide?
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide has a molecular weight of 463.81 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 60566384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).