4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide

C15H18N2O4S2 — CID 46555814

IUPAC4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-11-4-5-13(10-12(11)2)17-23(20,21)15-8-6-14(7-9-15)22(18,19)16-3/h4-10,16-17H,1-3H3
InChIKeyWFKASAJURPTSBG-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.01
Rot. Bonds5

About 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide

4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide (PubChem CID 46555814) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
PubChem CID46555814
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide
SMILESCNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-11-4-5-13(10-12(11)2)17-23(20,21)15-8-6-14(7-9-15)22(18,19)16-3/h4-10,16-17H,1-3H3
InChIKeyWFKASAJURPTSBG-UHFFFAOYSA-N
XLogP2.01
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
4-(1-aminoethyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43111564
1-N-cyclopropyl-4-N-(3,4-dimethylphenyl)benzene-1,4-disulfonamide
CID 35506541
4-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzene-1,4-disulfonamide
CID 18286970
N-(3-hydroxy-4-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 64794059
1-N-methyl-4-N-naphthalen-2-ylbenzene-1,4-disulfonamide
CID 86922484
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-[(4-ethylphenyl)sulfonylamino]-N,2-dimethylbenzenesulfonamide
CID 8519772
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide?
The IUPAC name of 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide (CID 46555814) is 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide is CNS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide?
The InChIKey is WFKASAJURPTSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-11-4-5-13(10-12(11)2)17-23(20,21)15-8-6-14(7-9-15)22(18,19)16-3/h4-10,16-17H,1-3H3.
What are the key properties of 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide?
4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylphenyl)-1-N-methylbenzene-1,4-disulfonamide is sourced from PubChem (CID 46555814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).