N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

C22H19ClN2O3S — CID 2982049

IUPACN-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCC(=O)c1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-15-3-13-21(14-4-15)29(27,28)25-22(18-5-9-19(23)10-6-18)24-20-11-7-17(8-12-20)16(2)26/h3-14H,1-2H3,(H,24,25)
InChIKeyLSFDDONDDCSVML-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.10
Rot. Bonds5

About N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide

N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (PubChem CID 2982049) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
PubChem CID2982049
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC NameN-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
SMILESCC(=O)c1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-15-3-13-21(14-4-15)29(27,28)25-22(18-5-9-19(23)10-6-18)24-20-11-7-17(8-12-20)16(2)26/h3-14H,1-2H3,(H,24,25)
InChIKeyLSFDDONDDCSVML-UHFFFAOYSA-N
XLogP5.10
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
4-methyl-N'-(4-methylphenyl)sulfonyl-N-(2,3,5,6-tetrachloro-4-hydroxyphenyl)benzenecarboximidamide
CID 134878749
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
N'-(4-methylphenyl)sulfonyl-N-[4-[[4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenyl]methyl]phenyl]benzenecarboximidamide
CID 4704513
1-(4-chlorophenyl)-3-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]urea
CID 2819847
N'-(4-methylphenyl)sulfonyl-4-nitro-N-phenylbenzenecarboximidamide
CID 2951197
N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
CID 6343610
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide (CID 2982049) is N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is CC(=O)c1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
The InChIKey is LSFDDONDDCSVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-15-3-13-21(14-4-15)29(27,28)25-22(18-5-9-19(23)10-6-18)24-20-11-7-17(8-12-20)16(2)26/h3-14H,1-2H3,(H,24,25).
What are the key properties of N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide?
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide has a molecular weight of 426.93 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2982049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).