N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide

C19H25NO5S — CID 110291277

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H25NO5S/c1-13-6-8-16(10-14(13)2)26(22,23)20(3)12-17(21)15-7-9-18(24-4)19(11-15)25-5/h6-11,17,21H,12H2,1-5H3
InChIKeySFGLPEJDNSSQBF-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide (PubChem CID 110291277) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide
PubChem CID110291277
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide
SMILESCOc1ccc(C(O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C19H25NO5S/c1-13-6-8-16(10-14(13)2)26(22,23)20(3)12-17(21)15-7-9-18(24-4)19(11-15)25-5/h6-11,17,21H,12H2,1-5H3
InChIKeySFGLPEJDNSSQBF-UHFFFAOYSA-N
XLogP2.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethylbenzenesulfonamide
CID 110291307
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 110291304
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N,3-dimethylbenzenesulfonamide
CID 110291014
2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetate
CID 6957292
4-[2-[cyclopentylsulfamoyl(methyl)amino]-1-hydroxyethyl]-1,2-dimethoxybenzene
CID 110629765
1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 79845125
3-[(3,4-dimethylphenyl)sulfonyl-methylamino]-2-methylpropanethioamide
CID 54991874
N-(3-hydroxybutyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 115741211
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 90613477
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
N-(2-hydroxypropyl)-4-methoxy-N-methyl-3-nitrobenzenesulfonamide
CID 62333715

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide (CID 110291277) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide is COc1ccc(C(O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide?
The InChIKey is SFGLPEJDNSSQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-13-6-8-16(10-14(13)2)26(22,23)20(3)12-17(21)15-7-9-18(24-4)19(11-15)25-5/h6-11,17,21H,12H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,3,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 110291277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).