4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide

C22H24N2O8S2 — CID 17349147

IUPAC4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)c(OC)cc1OC
InChIInChI=1S/C22H24N2O8S2/c1-29-17-11-7-5-9-15(17)23-33(25,26)21-14-22(20(32-4)13-19(21)31-3)34(27,28)24-16-10-6-8-12-18(16)30-2/h5-14,23-24H,1-4H3
InChIKeySWZXAOYVFXVYME-UHFFFAOYSA-N
MW508.57 g/mol
LogP3.32
Rot. Bonds10

About 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide

4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide (PubChem CID 17349147) has the molecular formula C22H24N2O8S2 and a molecular weight of 508.57 g/mol. Its IUPAC name is 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
PubChem CID17349147
Molecular FormulaC22H24N2O8S2
Molecular Weight508.57 g/mol
Exact Mass508.10
IUPAC Name4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)c(OC)cc1OC
InChIInChI=1S/C22H24N2O8S2/c1-29-17-11-7-5-9-15(17)23-33(25,26)21-14-22(20(32-4)13-19(21)31-3)34(27,28)24-16-10-6-8-12-18(16)30-2/h5-14,23-24H,1-4H3
InChIKeySWZXAOYVFXVYME-UHFFFAOYSA-N
XLogP3.32
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
2-bromo-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
CID 35506490
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
5-fluoro-2-methoxy-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53288956
4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929959
5-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 26968930

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide?
The IUPAC name of 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide (CID 17349147) is 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide?
The canonical SMILES for 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide is COc1ccccc1NS(=O)(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)c(OC)cc1OC.
What is the InChIKey of 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide?
The InChIKey is SWZXAOYVFXVYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O8S2/c1-29-17-11-7-5-9-15(17)23-33(25,26)21-14-22(20(32-4)13-19(21)31-3)34(27,28)24-16-10-6-8-12-18(16)30-2/h5-14,23-24H,1-4H3.
What are the key properties of 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide?
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide has a molecular weight of 508.57 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 17349147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).