4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide

C17H22N2O5S2 — CID 113068589

IUPAC4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(c2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S2/c1-14-6-4-5-7-17(14)19(25(3,20)21)13-12-18-26(22,23)16-10-8-15(24-2)9-11-16/h4-11,18H,12-13H2,1-3H3
InChIKeyJSJQEZJFVJJMEZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.75
Rot. Bonds8

About 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide

4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide (PubChem CID 113068589) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
PubChem CID113068589
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC Name4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCN(c2ccccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H22N2O5S2/c1-14-6-4-5-7-17(14)19(25(3,20)21)13-12-18-26(22,23)16-10-8-15(24-2)9-11-16/h4-11,18H,12-13H2,1-3H3
InChIKeyJSJQEZJFVJJMEZ-UHFFFAOYSA-N
XLogP1.75
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113070411
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113068891
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113069714
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 113065648
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
N-[2-[ethyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 11000205
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065291
4-methoxy-N-[2-[methyl-[3-[(2-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 67246501
N-(2,5-dimethoxyphenyl)-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141702
N-[2-(4-methoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070529

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide (CID 113068589) is 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCN(c2ccccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
The InChIKey is JSJQEZJFVJJMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-14-6-4-5-7-17(14)19(25(3,20)21)13-12-18-26(22,23)16-10-8-15(24-2)9-11-16/h4-11,18H,12-13H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide?
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 113068589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).