4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide

C18H23NO4S — CID 110781958

IUPAC4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(OCC)c(C)c2)cc1
InChIInChI=1S/C18H23NO4S/c1-4-22-16-7-9-17(10-8-16)24(20,21)19-13-15-6-11-18(23-5-2)14(3)12-15/h6-12,19H,4-5,13H2,1-3H3
InChIKeyUHPBDLGFFPGLSL-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.27
Rot. Bonds8

About 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide

4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 110781958) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
PubChem CID110781958
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccc(OCC)c(C)c2)cc1
InChIInChI=1S/C18H23NO4S/c1-4-22-16-7-9-17(10-8-16)24(20,21)19-13-15-6-11-18(23-5-2)14(3)12-15/h6-12,19H,4-5,13H2,1-3H3
InChIKeyUHPBDLGFFPGLSL-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 ≤ 500349.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
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
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxybenzenesulfonamide
CID 741468
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 110782101
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide (CID 110781958) is 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccc(OCC)c(C)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is UHPBDLGFFPGLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-22-16-7-9-17(10-8-16)24(20,21)19-13-15-6-11-18(23-5-2)14(3)12-15/h6-12,19H,4-5,13H2,1-3H3.
What are the key properties of 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide?
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 349.45 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 4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110781958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).