3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide

C16H16Cl2N2O3S — CID 113069948

IUPAC3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20(15-7-5-13(17)6-8-15)10-9-19-16(21)12-3-2-4-14(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyIVARKIURZPSYDC-UHFFFAOYSA-N
MW387.29 g/mol
LogP3.19
Rot. Bonds6

About 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide

3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113069948) has the molecular formula C16H16Cl2N2O3S and a molecular weight of 387.29 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113069948
Molecular FormulaC16H16Cl2N2O3S
Molecular Weight387.29 g/mol
Exact Mass386.03
IUPAC Name3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide
SMILESCS(=O)(=O)N(CCNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20(15-7-5-13(17)6-8-15)10-9-19-16(21)12-3-2-4-14(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyIVARKIURZPSYDC-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-3,4-difluorobenzamide
CID 113069894
3-chloro-N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068799
N-[2-(3-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069873
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3-chlorobenzamide
CID 113065376
3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
CID 113068437
N-[2-(4-tert-butyl-N-methylsulfonylanilino)ethyl]-3-methylbenzamide
CID 113069626
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
3-chloro-N-[2-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113067577
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
3-chloro-N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066651
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide (CID 113069948) is 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide is CS(=O)(=O)N(CCNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is IVARKIURZPSYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S/c1-24(22,23)20(15-7-5-13(17)6-8-15)10-9-19-16(21)12-3-2-4-14(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide?
3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 387.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chloro-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113069948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).