N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide

C18H22ClNO4S — CID 113103104

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cc(C)c(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C18H22ClNO4S/c1-12-9-15(23-4)5-6-17(12)25(21,22)20-7-8-24-16-10-13(2)18(19)14(3)11-16/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyBWMZEETYLQLQEA-UHFFFAOYSA-N
MW383.90 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 113103104) has the molecular formula C18H22ClNO4S and a molecular weight of 383.90 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID113103104
Molecular FormulaC18H22ClNO4S
Molecular Weight383.90 g/mol
Exact Mass383.10
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2cc(C)c(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C18H22ClNO4S/c1-12-9-15(23-4)5-6-17(12)25(21,22)20-7-8-24-16-10-13(2)18(19)14(3)11-16/h5-6,9-11,20H,7-8H2,1-4H3
InChIKeyBWMZEETYLQLQEA-UHFFFAOYSA-N
XLogP3.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxyaniline
CID 54796773
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
3,5-dichloro-N-[2-(4-methoxyphenoxy)ethyl]benzenesulfonamide
CID 5018847
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide (CID 113103104) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2cc(C)c(Cl)c(C)c2)c(C)c1.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is BWMZEETYLQLQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO4S/c1-12-9-15(23-4)5-6-17(12)25(21,22)20-7-8-24-16-10-13(2)18(19)14(3)11-16/h5-6,9-11,20H,7-8H2,1-4H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 383.90 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 113103104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).