N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide

C21H19ClN2O2S — CID 6343610

IUPACN'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
SMILESCc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C21H19ClN2O2S/c1-15-8-13-20(16(2)14-15)23-21(17-9-11-18(22)12-10-17)24-27(25,26)19-6-4-3-5-7-19/h3-14H,1-2H3,(H,23,24)
InChIKeyMTINKXONPJYEMM-UHFFFAOYSA-N
MW398.92 g/mol
LogP5.20
Rot. Bonds4

About N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide

N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide (PubChem CID 6343610) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
PubChem CID6343610
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC NameN'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
SMILESCc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C21H19ClN2O2S/c1-15-8-13-20(16(2)14-15)23-21(17-9-11-18(22)12-10-17)24-27(25,26)19-6-4-3-5-7-19/h3-14H,1-2H3,(H,23,24)
InChIKeyMTINKXONPJYEMM-UHFFFAOYSA-N
XLogP5.20
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.92
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
N'-(benzenesulfonyl)-4-chloro-N-(2-nitrophenyl)benzenecarboximidamide
CID 3445258
N'-(benzenesulfonyl)-N-[4-[4-[[N-(benzenesulfonyl)-C-phenylcarbonimidoyl]sulfamoyl]-3-methylphenyl]-2-methylphenyl]benzenecarboximidamide
CID 5044534
2,3,6-trichloro-4-[[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]amino]phenolate
CID 3637018
N-(4-acetylphenyl)-4-chloro-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2982049
4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
CID 6156703
N'-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 6195854
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
N'-(4-chlorophenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 2950669
[chloro-[(E)-[(2,4-dimethylanilino)-phenylmethylidene]amino]methylidene]-dimethylazanium
CID 20704493
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide (CID 6343610) is N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide is Cc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide?
The InChIKey is MTINKXONPJYEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-15-8-13-20(16(2)14-15)23-21(17-9-11-18(22)12-10-17)24-27(25,26)19-6-4-3-5-7-19/h3-14H,1-2H3,(H,23,24).
What are the key properties of N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide?
N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide has a molecular weight of 398.92 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide is sourced from PubChem (CID 6343610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).