3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

C19H25NO4S — CID 133217933

IUPAC3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-12-9-14(3)17(10-13(12)2)15(4)20-25(21,22)16-7-8-18(23-5)19(11-16)24-6/h7-11,15,20H,1-6H3
InChIKeyLEHWAKCAJRQNID-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.67
Rot. Bonds6

About 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 133217933) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
PubChem CID133217933
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-12-9-14(3)17(10-13(12)2)15(4)20-25(21,22)16-7-8-18(23-5)19(11-16)24-6/h7-11,15,20H,1-6H3
InChIKeyLEHWAKCAJRQNID-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217876
3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404935
3-iodo-4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 133186440
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30404005
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
N-[(1S)-1-(furan-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 8817788

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (CID 133217933) is 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is LEHWAKCAJRQNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-12-9-14(3)17(10-13(12)2)15(4)20-25(21,22)16-7-8-18(23-5)19(11-16)24-6/h7-11,15,20H,1-6H3.
What are the key properties of 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 133217933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).