4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide

C22H22N2O4S2 — CID 2340419

IUPAC4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(C(=NS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-16-4-10-19(11-5-16)22(23-29(25,26)20-12-6-17(2)7-13-20)24-30(27,28)21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H,23,24)
InChIKeyYPBUSPXUDCSNJO-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.73
Rot. Bonds5

About 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide

4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 2340419) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID2340419
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC Name4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(C(=NS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-16-4-10-19(11-5-16)22(23-29(25,26)20-12-6-17(2)7-13-20)24-30(27,28)21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H,23,24)
InChIKeyYPBUSPXUDCSNJO-UHFFFAOYSA-N
XLogP3.73
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108
4-methyl-N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)benzenecarboximidamide
CID 134878749
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
N'-dichlorophosphoryl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 3514861
2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
CID 7164051
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(4-methylphenyl)sulfonyl-4-nitro-N-phenylbenzenecarboximidamide
CID 2951197
(2S)-2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]propanoate
CID 7472553
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
4-methyl-N-oxidobenzenesulfonamide
CID 141387140
(4-methylphenyl)sulfonylurea;urea
CID 160676948
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 2340419) is 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(C(=NS(=O)(=O)c2ccc(C)cc2)NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is YPBUSPXUDCSNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-16-4-10-19(11-5-16)22(23-29(25,26)20-12-6-17(2)7-13-20)24-30(27,28)21-14-8-18(3)9-15-21/h4-15H,1-3H3,(H,23,24).
What are the key properties of 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide?
4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 442.56 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N'-bis-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2340419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).