N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide

C17H20ClNO3S — CID 59165670

IUPACN-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2ccc(Cl)cc2)c(COC)c1)S(C)(=O)=O
InChIInChI=1S/C17H20ClNO3S/c1-4-19(23(3,20)21)16-9-10-17(14(11-16)12-22-2)13-5-7-15(18)8-6-13/h5-11H,4,12H2,1-3H3
InChIKeyBNVLYGKOJCWVMB-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide

N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide (PubChem CID 59165670) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide
PubChem CID59165670
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC NameN-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(-c2ccc(Cl)cc2)c(COC)c1)S(C)(=O)=O
InChIInChI=1S/C17H20ClNO3S/c1-4-19(23(3,20)21)16-9-10-17(14(11-16)12-22-2)13-5-7-15(18)8-6-13/h5-11H,4,12H2,1-3H3
InChIKeyBNVLYGKOJCWVMB-UHFFFAOYSA-N
XLogP3.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-2-(methoxymethyl)-4-methylsulfonylbenzene
CID 59165659
4-(4-chlorophenyl)-3-(methoxymethyl)aniline
CID 59165672
N-ethyl-N-[4-(4-iodophenyl)-3-(methoxymethyl)phenyl]acetamide
CID 70876710
N-(3-amino-4-fluorophenyl)-N-ethylmethanesulfonamide
CID 39248117
2-[[[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-hydroxymethyl]amino]ethanol
CID 163450193
N-[2-(aminomethyl)-4-chlorophenyl]-N-ethylmethanesulfonamide;hydrochloride
CID 138677601
1-[4-(4-chlorophenyl)-3-(methoxymethyl)benzoyl]piperidin-4-one
CID 59165599
4-[4-(dihydroxyamino)phenyl]-3-ethyl-N,N-dihydroxyaniline
CID 171781096
N-(2-aminoethyl)-N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]methanesulfonamide
CID 143994567
CID 163599061
CID 163599061
1-(4-chlorophenyl)-2-(dimethoxyphosphorylmethyl)-4-methylbenzene
CID 72735309
N-(4-chlorophenyl)-N-ethylethenesulfonamide
CID 71476927

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide (CID 59165670) is N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide is CCN(c1ccc(-c2ccc(Cl)cc2)c(COC)c1)S(C)(=O)=O.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide?
The InChIKey is BNVLYGKOJCWVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-4-19(23(3,20)21)16-9-10-17(14(11-16)12-22-2)13-5-7-15(18)8-6-13/h5-11H,4,12H2,1-3H3.
What are the key properties of N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide?
N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-(methoxymethyl)phenyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 59165670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).