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

C17H19ClN2O4S — CID 113070383

IUPAC4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1ccccc1N(CCNC(=O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-6-4-3-5-15(16)20(25(2,22)23)12-11-19-17(21)13-7-9-14(18)10-8-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyYQFXDPJOUCSMOH-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.54
Rot. Bonds7

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

4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide (PubChem CID 113070383) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
PubChem CID113070383
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
SMILESCOc1ccccc1N(CCNC(=O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-16-6-4-3-5-15(16)20(25(2,22)23)12-11-19-17(21)13-7-9-14(18)10-8-13/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyYQFXDPJOUCSMOH-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
4-chloro-N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113069060
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069361
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113069819
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(2,5-dimethoxy-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113070787
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide (CID 113070383) is 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide is COc1ccccc1N(CCNC(=O)c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
The InChIKey is YQFXDPJOUCSMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-16-6-4-3-5-15(16)20(25(2,22)23)12-11-19-17(21)13-7-9-14(18)10-8-13/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide?
4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide has a molecular weight of 382.87 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide is sourced from PubChem (CID 113070383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).