N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide

C17H19ClN2O4S — CID 31470074

IUPACN-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-20(10-11-24-16-8-6-14(18)7-9-16)17(21)13-4-3-5-15(12-13)19-25(2,22)23/h3-9,12,19H,10-11H2,1-2H3
InChIKeyBUUABAMQPFDTMB-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.86
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (PubChem CID 31470074) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
PubChem CID31470074
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C17H19ClN2O4S/c1-20(10-11-24-16-8-6-14(18)7-9-16)17(21)13-4-3-5-15(12-13)19-25(2,22)23/h3-9,12,19H,10-11H2,1-2H3
InChIKeyBUUABAMQPFDTMB-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-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-methylsulfonylbenzamide
CID 31289866
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 55348807
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
3-(carbamoylamino)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 9225229
3-(methanesulfonamido)-N-[2-(4-methoxyphenoxy)ethyl]-N,4-dimethylbenzamide
CID 55571429
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N-[(2,3-dichlorophenyl)methyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31144744
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
N-[2-(4-chlorophenoxy)ethyl]-4-methoxy-N-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27795629

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide (CID 31470074) is N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
The InChIKey is BUUABAMQPFDTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-20(10-11-24-16-8-6-14(18)7-9-16)17(21)13-4-3-5-15(12-13)19-25(2,22)23/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide?
N-[2-(4-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-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide is sourced from PubChem (CID 31470074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).