1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide

C20H20N2O4S2 — CID 167965219

IUPAC1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-15-4-3-5-17(14-15)16-6-8-18(9-7-16)22-28(25,26)20-12-10-19(11-13-20)27(23,24)21-2/h3-14,21-22H,1-2H3
InChIKeyUUPVSIONAIRCNA-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.37
Rot. Bonds6

About 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide

1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide (PubChem CID 167965219) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
PubChem CID167965219
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-15-4-3-5-17(14-15)16-6-8-18(9-7-16)22-28(25,26)20-12-10-19(11-13-20)27(23,24)21-2/h3-14,21-22H,1-2H3
InChIKeyUUPVSIONAIRCNA-UHFFFAOYSA-N
XLogP3.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-methyl-3-N-(4-methylphenyl)benzene-1,3-disulfonamide
CID 49186392
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
N-cyclopentyl-4-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzamide
CID 46386260
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
CID 46555814
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
sodium 4-(3-methylphenyl)benzenesulfonate
CID 46741396
4-methyl-N-[4-(3-phenylmethoxyphenyl)phenyl]benzenesulfonamide
CID 169372382
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide?
The IUPAC name of 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide (CID 167965219) is 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide?
The canonical SMILES for 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide?
The InChIKey is UUPVSIONAIRCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-15-4-3-5-17(14-15)16-6-8-18(9-7-16)22-28(25,26)20-12-10-19(11-13-20)27(23,24)21-2/h3-14,21-22H,1-2H3.
What are the key properties of 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide?
1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[4-(3-methylphenyl)phenyl]benzene-1,4-disulfonamide is sourced from PubChem (CID 167965219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).