2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide

C18H23NO5S — CID 55681499

IUPAC2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO5S/c1-19(12-7-13-24-15-8-5-4-6-9-15)25(20,21)18-14-16(22-2)10-11-17(18)23-3/h4-6,8-11,14H,7,12-13H2,1-3H3
InChIKeySYIISWRNCWQHOP-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.79
Rot. Bonds9

About 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide

2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide (PubChem CID 55681499) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
PubChem CID55681499
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CCCOc2ccccc2)c1
InChIInChI=1S/C18H23NO5S/c1-19(12-7-13-24-15-8-5-4-6-9-15)25(20,21)18-14-16(22-2)10-11-17(18)23-3/h4-6,8-11,14H,7,12-13H2,1-3H3
InChIKeySYIISWRNCWQHOP-UHFFFAOYSA-N
XLogP2.79
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
N,2,5-trimethyl-N-(3-phenoxypropyl)thiophene-3-sulfonamide
CID 78870484
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
N-ethyl-2,5-dimethoxy-N-phenylbenzenesulfonamide
CID 768929
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
N-[(5-bromo-2-methoxyphenyl)methyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 32941824
4-methoxy-1-N,3-N-dimethyl-1-N,3-N-bis(2-phenylethyl)benzene-1,3-disulfonamide
CID 141141198
N-ethyl-2,5-dimethoxy-N-(2-phenoxyethyl)aniline
CID 54211346
2,4-dimethoxy-N-methyl-N-(2-methyl-2-phenylpropyl)benzenesulfonamide
CID 110669733
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2,4-difluoro-N-[3-(4-fluorophenoxy)propyl]-N-methylbenzenesulfonamide
CID 78870952

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide (CID 55681499) is 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)N(C)CCCOc2ccccc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide?
The InChIKey is SYIISWRNCWQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-19(12-7-13-24-15-8-5-4-6-9-15)25(20,21)18-14-16(22-2)10-11-17(18)23-3/h4-6,8-11,14H,7,12-13H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide?
2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-methyl-N-(3-phenoxypropyl)benzenesulfonamide is sourced from PubChem (CID 55681499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).