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

C18H23NO5S — CID 9190953

IUPAC2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C18H23NO5S/c1-12-6-7-17(13(2)8-12)25(20,21)19-11-14-9-15(22-3)18(24-5)16(10-14)23-4/h6-10,19H,11H2,1-5H3
InChIKeyOSBLIMMQSDAVDR-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.81
Rot. Bonds7

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

2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 9190953) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
PubChem CID9190953
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Name2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C18H23NO5S/c1-12-6-7-17(13(2)8-12)25(20,21)19-11-14-9-15(22-3)18(24-5)16(10-14)23-4/h6-10,19H,11H2,1-5H3
InChIKeyOSBLIMMQSDAVDR-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

4-tert-butyl-2,6-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide
CID 9190964
2-methoxy-5-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095698
4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095695
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
2,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 94639542
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110779879
[4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923697
(2-methoxyphenyl) 2-[(2,4-dimethylphenyl)sulfonylamino]acetate
CID 110670998
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55656360

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide (CID 9190953) is 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is COc1cc(CNS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is OSBLIMMQSDAVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-12-6-7-17(13(2)8-12)25(20,21)19-11-14-9-15(22-3)18(24-5)16(10-14)23-4/h6-10,19H,11H2,1-5H3.
What are the key properties of 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(3,4,5-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 2,4-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 9190953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).