5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide

C17H20ClNO4S — CID 113100078

IUPAC5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H20ClNO4S/c1-3-13-5-4-6-15(11-13)23-10-9-19-24(20,21)17-12-14(18)7-8-16(17)22-2/h4-8,11-12,19H,3,9-10H2,1-2H3
InChIKeyYLDKZHZKXVNANI-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.27
Rot. Bonds8

About 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 113100078) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
PubChem CID113100078
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
SMILESCCc1cccc(OCCNS(=O)(=O)c2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H20ClNO4S/c1-3-13-5-4-6-15(11-13)23-10-9-19-24(20,21)17-12-14(18)7-8-16(17)22-2/h4-8,11-12,19H,3,9-10H2,1-2H3
InChIKeyYLDKZHZKXVNANI-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.27
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

5-chloro-2-methoxy-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]benzenesulfonamide
CID 113101631
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
5-chloro-N-[(3-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 25045685
N-[2-(3-ethylphenoxy)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 113100044
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
4-chloro-N-[2-(3-ethylphenoxy)ethyl]-3-methylbenzenesulfonamide
CID 113100064
N-[2-(3-ethylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113100033
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide (CID 113100078) is 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide is CCc1cccc(OCCNS(=O)(=O)c2cc(Cl)ccc2OC)c1.
What is the InChIKey of 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is YLDKZHZKXVNANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-3-13-5-4-6-15(11-13)23-10-9-19-24(20,21)17-12-14(18)7-8-16(17)22-2/h4-8,11-12,19H,3,9-10H2,1-2H3.
What are the key properties of 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113100078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).