2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

C17H21NO4S — CID 8800419

IUPAC2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C17H21NO4S/c1-13-5-4-6-15(11-13)22-10-9-18-23(19,20)17-12-14(2)7-8-16(17)21-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyDRFQNQHMNSMNID-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.67
Rot. Bonds7

About 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 8800419) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID8800419
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C17H21NO4S/c1-13-5-4-6-15(11-13)22-10-9-18-23(19,20)17-12-14(2)7-8-16(17)21-3/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyDRFQNQHMNSMNID-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.67
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-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
(3-methylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670472
2-methoxy-N-(2-methoxyethyl)-5-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 24538797
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
4-tert-butyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099165
2-chloro-N-[3-(3-methylphenoxy)propyl]benzenesulfonamide
CID 46644070

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (CID 8800419) is 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is DRFQNQHMNSMNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13-5-4-6-15(11-13)22-10-9-18-23(19,20)17-12-14(2)7-8-16(17)21-3/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 8800419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).