N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

C24H24N4O3S — CID 21203335

IUPACN-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCC1=C(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ON(c2ccccc2)N1C
InChIInChI=1S/C24H24N4O3S/c1-18-14-16-22(17-15-18)32(29,30)26-23(20-10-6-4-7-11-20)25-24-19(2)27(3)28(31-24)21-12-8-5-9-13-21/h4-17H,1-3H3,(H,25,26)
InChIKeyNOCLJEDPZSYIQJ-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.21
Rot. Bonds5

About N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 21203335) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID21203335
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCC1=C(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ON(c2ccccc2)N1C
InChIInChI=1S/C24H24N4O3S/c1-18-14-16-22(17-15-18)32(29,30)26-23(20-10-6-4-7-11-20)25-24-19(2)27(3)28(31-24)21-12-8-5-9-13-21/h4-17H,1-3H3,(H,25,26)
InChIKeyNOCLJEDPZSYIQJ-UHFFFAOYSA-N
XLogP4.21
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-(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-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrabromo-4-hydroxyphenyl)benzenecarboximidamide
CID 15517229
2,3,6-trichloro-4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenolate
CID 3637018
N-(benzenesulfonamido)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 11835108
N-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 34071712
N-(2,4-dinitrophenyl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 6536173
N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
N'-(4-methylphenyl)sulfonyl-4-nitro-N-phenylbenzenecarboximidamide
CID 2951197
N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide
CID 2330211
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 21203335) is N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is CC1=C(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)ON(c2ccccc2)N1C.
What is the InChIKey of N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is NOCLJEDPZSYIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-18-14-16-22(17-15-18)32(29,30)26-23(20-10-6-4-7-11-20)25-24-19(2)27(3)28(31-24)21-12-8-5-9-13-21/h4-17H,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 448.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-phenyloxadiazol-5-yl)-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 21203335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).