N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide

C17H19ClN2O4S — CID 18119830

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-20(9-10-24-16-8-4-6-14(18)12-16)17(21)13-5-3-7-15(11-13)19-25(2,22)23/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyYNNMJJRCOOJVLU-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide

N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 18119830) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID18119830
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-20(9-10-24-16-8-4-6-14(18)12-16)17(21)13-5-3-7-15(11-13)19-25(2,22)23/h3-8,11-12,19H,9-10H2,1-2H3
InChIKeyYNNMJJRCOOJVLU-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33321730
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
N-[3-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55919012
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (CID 18119830) is N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is CN(CCOc1cccc(Cl)c1)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is YNNMJJRCOOJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-20(9-10-24-16-8-4-6-14(18)12-16)17(21)13-5-3-7-15(11-13)19-25(2,22)23/h3-8,11-12,19H,9-10H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide has a molecular weight of 382.87 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 18119830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).