N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide

C19H25NO5S — CID 22206196

IUPACN-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C19H25NO5S/c1-4-23-16-8-10-17(11-9-16)26(21,22)20-14-15-7-12-18(24-5-2)19(13-15)25-6-3/h7-13,20H,4-6,14H2,1-3H3
InChIKeyQTEXWJXAXGCEBU-UHFFFAOYSA-N
MW379.48 g/mol
LogP3.36
Rot. Bonds10

About N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide

N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide (PubChem CID 22206196) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
PubChem CID22206196
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(OCC)c(OCC)c2)cc1
InChIInChI=1S/C19H25NO5S/c1-4-23-16-8-10-17(11-9-16)26(21,22)20-14-15-7-12-18(24-5-2)19(13-15)25-6-3/h7-13,20H,4-6,14H2,1-3H3
InChIKeyQTEXWJXAXGCEBU-UHFFFAOYSA-N
XLogP3.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
N-[(3,4-diethoxyphenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 22206204
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxybenzenesulfonamide
CID 741468
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
3,4-diethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 30788428
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 53285290
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 46595747
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide (CID 22206196) is N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccc(OCC)c(OCC)c2)cc1.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide?
The InChIKey is QTEXWJXAXGCEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-4-23-16-8-10-17(11-9-16)26(21,22)20-14-15-7-12-18(24-5-2)19(13-15)25-6-3/h7-13,20H,4-6,14H2,1-3H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide?
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 22206196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).