N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide

C21H20N2O4S2 — CID 2873223

IUPACN'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S2/c1-17-13-15-20(16-14-17)29(26,27)23(2)21(18-9-5-3-6-10-18)22-28(24,25)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyMUAVRJSAOCWYRE-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.45
Rot. Bonds5

About N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide

N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 2873223) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID2873223
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC NameN'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N(C)C(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O4S2/c1-17-13-15-20(16-14-17)29(26,27)23(2)21(18-9-5-3-6-10-18)22-28(24,25)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKeyMUAVRJSAOCWYRE-UHFFFAOYSA-N
XLogP3.45
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
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'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide
CID 6519001
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
CID 15716439
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
N'-(4-methylphenyl)sulfonyl-N-[4-[(E)-N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]iminocyclohexa-2,5-dien-1-ylidene]benzenecarboximidamide
CID 75408906
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
N-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 34071712
N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrabromo-4-hydroxyphenyl)benzenecarboximidamide
CID 15517229

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 2873223) is N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N(C)C(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is MUAVRJSAOCWYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-17-13-15-20(16-14-17)29(26,27)23(2)21(18-9-5-3-6-10-18)22-28(24,25)19-11-7-4-8-12-19/h3-16H,1-2H3.
What are the key properties of N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 428.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2873223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).