2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide

C18H23NO5S — CID 94639542

IUPAC2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)c(OC)c1OC
InChIInChI=1S/C18H23NO5S/c1-12-6-7-13(2)16(10-12)25(20,21)19-11-14-8-9-15(22-3)18(24-5)17(14)23-4/h6-10,19H,11H2,1-5H3
InChIKeyMUOMIBOLQLWCFK-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.81
Rot. Bonds7

About 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide

2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 94639542) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID94639542
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)c(OC)c1OC
InChIInChI=1S/C18H23NO5S/c1-12-6-7-13(2)16(10-12)25(20,21)19-11-14-8-9-15(22-3)18(24-5)17(14)23-4/h6-10,19H,11H2,1-5H3
InChIKeyMUOMIBOLQLWCFK-UHFFFAOYSA-N
XLogP2.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
4-methyl-3-nitro-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639523
2-methoxy-5-methyl-N-(quinolin-4-ylmethyl)benzenesulfonamide
CID 110734272
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2,5-dimethylbenzenesulfonamide
CID 113090550
4-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639528
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
2,5-dimethyl-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6907840
2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190953
2-methoxy-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 61021799
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110325529
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide (CID 94639542) is 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)c(OC)c1OC.
What is the InChIKey of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is MUOMIBOLQLWCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-12-6-7-13(2)16(10-12)25(20,21)19-11-14-8-9-15(22-3)18(24-5)17(14)23-4/h6-10,19H,11H2,1-5H3.
What are the key properties of 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide?
2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 94639542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).