4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride

C15H13Cl2NO2S — CID 885300

IUPAC4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride
SMILESCc1ccc(C)c(S(=O)(=O)N=C(Cl)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13Cl2NO2S/c1-10-3-4-11(2)14(9-10)21(19,20)18-15(17)12-5-7-13(16)8-6-12/h3-9H,1-2H3
InChIKeyWCLOQSDEXRUVKI-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.33
Rot. Bonds3

About 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride

4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride (PubChem CID 885300) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride
PubChem CID885300
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride
SMILESCc1ccc(C)c(S(=O)(=O)N=C(Cl)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13Cl2NO2S/c1-10-3-4-11(2)14(9-10)21(19,20)18-15(17)12-5-7-13(16)8-6-12/h3-9H,1-2H3
InChIKeyWCLOQSDEXRUVKI-UHFFFAOYSA-N
XLogP4.33
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2674083
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
2,5-dimethyl-N-(oxomethylidene)benzenesulfonamide
CID 15232647
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(4-chlorophenyl)sulfonyl-N-(2,5-dimethylphenyl)-4-methylbenzamide
CID 19210994
N'-(benzenesulfonyl)-4-chloro-N-(2,4-dimethylphenyl)benzenecarboximidamide
CID 6343610
1,3-bis[(2,5-dimethylphenyl)sulfonyl]urea
CID 134090359

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride?
The IUPAC name of 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride (CID 885300) is 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride.
What is the SMILES notation for 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride?
The canonical SMILES for 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride is Cc1ccc(C)c(S(=O)(=O)N=C(Cl)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride?
The InChIKey is WCLOQSDEXRUVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c1-10-3-4-11(2)14(9-10)21(19,20)18-15(17)12-5-7-13(16)8-6-12/h3-9H,1-2H3.
What are the key properties of 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride?
4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride has a molecular weight of 342.25 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethylphenyl)sulfonylbenzenecarboximidoyl chloride is sourced from PubChem (CID 885300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).