4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide

C21H22N2O7S2 — CID 3106646

IUPAC4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H22N2O7S2/c1-28-17-8-4-15(5-9-17)22-31(24,25)19-12-13-20(30-3)21(14-19)32(26,27)23-16-6-10-18(29-2)11-7-16/h4-14,22-23H,1-3H3
InChIKeyWJRSVCLVBUQFEG-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.31
Rot. Bonds9

About 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide

4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide (PubChem CID 3106646) has the molecular formula C21H22N2O7S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
PubChem CID3106646
Molecular FormulaC21H22N2O7S2
Molecular Weight478.55 g/mol
Exact Mass478.09
IUPAC Name4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H22N2O7S2/c1-28-17-8-4-15(5-9-17)22-31(24,25)19-12-13-20(30-3)21(14-19)32(26,27)23-16-6-10-18(29-2)11-7-16/h4-14,22-23H,1-3H3
InChIKeyWJRSVCLVBUQFEG-UHFFFAOYSA-N
XLogP3.31
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
N-[4-(dimethylamino)phenyl]-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300283
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide?
The IUPAC name of 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide (CID 3106646) is 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide?
The canonical SMILES for 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide is COc1ccc(NS(=O)(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide?
The InChIKey is WJRSVCLVBUQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7S2/c1-28-17-8-4-15(5-9-17)22-31(24,25)19-12-13-20(30-3)21(14-19)32(26,27)23-16-6-10-18(29-2)11-7-16/h4-14,22-23H,1-3H3.
What are the key properties of 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide?
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide has a molecular weight of 478.55 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 3106646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).