N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide

C18H23NO4S — CID 3785219

IUPACN-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23NO4S/c1-5-19(13-15-8-6-7-14(2)11-15)24(20,21)16-9-10-17(22-3)18(12-16)23-4/h6-12H,5,13H2,1-4H3
InChIKeyDRMGUJGXRVSFCU-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.22
Rot. Bonds7

About N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide

N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 3785219) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID3785219
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H23NO4S/c1-5-19(13-15-8-6-7-14(2)11-15)24(20,21)16-9-10-17(22-3)18(12-16)23-4/h6-12H,5,13H2,1-4H3
InChIKeyDRMGUJGXRVSFCU-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-1-N,1-N-dimethyl-4-N-[(3-methylphenyl)methyl]benzene-1,4-disulfonamide
CID 86983221
N-[(3,4-dimethoxyphenyl)methyl]-N,4-diethylbenzenesulfonamide
CID 8801363
N-(3,4-dimethoxyphenyl)-4-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46022202
N-ethyl-4-(2-methoxyethoxy)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 55676521
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-4-methylbenzenesulfonamide
CID 30173555
N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1,3-dioxoisoindole-5-sulfonamide
CID 56561819
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4-fluoro-3-nitrobenzenesulfonamide
CID 8801352
N-(2-cyanoethyl)-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 39419244
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 3785219) is N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide is CCN(Cc1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is DRMGUJGXRVSFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-19(13-15-8-6-7-14(2)11-15)24(20,21)16-9-10-17(22-3)18(12-16)23-4/h6-12H,5,13H2,1-4H3.
What are the key properties of N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide?
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 3785219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).