N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide

C17H19ClN2O4S — CID 113069819

IUPACN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(c2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-24-14-7-5-6-13(12-14)17(21)19-10-11-20(25(2,22)23)16-9-4-3-8-15(16)18/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyHECVGTZBOLKMRB-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.54
Rot. Bonds7

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

N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide (PubChem CID 113069819) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
PubChem CID113069819
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCN(c2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-24-14-7-5-6-13(12-14)17(21)19-10-11-20(25(2,22)23)16-9-4-3-8-15(16)18/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyHECVGTZBOLKMRB-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

3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide
CID 113070559
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113067018
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-4-methylbenzamide
CID 113069814
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3-methoxy-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113066070
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
4-chloro-N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070383
4-methoxy-N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]benzamide
CID 113070434
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide (CID 113069819) is N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCN(c2ccccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide?
The InChIKey is HECVGTZBOLKMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-14-7-5-6-13(12-14)17(21)19-10-11-20(25(2,22)23)16-9-4-3-8-15(16)18/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide?
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide 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 N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113069819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).