2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide

C16H20N2O6S2 — CID 7586511

IUPAC2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O6S2/c1-18(2)26(21,22)16-11-12(5-10-15(16)24-4)17-25(19,20)14-8-6-13(23-3)7-9-14/h5-11,17H,1-4H3
InChIKeyJCHCVNZZVIMAFP-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.75
Rot. Bonds7

About 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide

2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 7586511) has the molecular formula C16H20N2O6S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID7586511
Molecular FormulaC16H20N2O6S2
Molecular Weight400.48 g/mol
Exact Mass400.08
IUPAC Name2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C16H20N2O6S2/c1-18(2)26(21,22)16-11-12(5-10-15(16)24-4)17-25(19,20)14-8-6-13(23-3)7-9-14/h5-11,17H,1-4H3
InChIKeyJCHCVNZZVIMAFP-UHFFFAOYSA-N
XLogP1.75
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 5021993
5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4816105
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2,4-dimethoxybenzamide
CID 9106537
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267806
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide (CID 7586511) is 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is JCHCVNZZVIMAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S2/c1-18(2)26(21,22)16-11-12(5-10-15(16)24-4)17-25(19,20)14-8-6-13(23-3)7-9-14/h5-11,17H,1-4H3.
What are the key properties of 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide?
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 400.48 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 7586511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).