4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide

C15H15ClN2O2S — CID 6898223

IUPAC4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C15H15ClN2O2S/c1-11-3-4-13(12(2)9-11)10-17-18-21(19,20)15-7-5-14(16)6-8-15/h3-10,18H,1-2H3/b17-10+
InChIKeyDAKYSIUFYBFBFW-LICLKQGHSA-N
MW322.82 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide

4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide (PubChem CID 6898223) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
PubChem CID6898223
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
SMILESCc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C15H15ClN2O2S/c1-11-3-4-13(12(2)9-11)10-17-18-21(19,20)15-7-5-14(16)6-8-15/h3-10,18H,1-2H3/b17-10+
InChIKeyDAKYSIUFYBFBFW-LICLKQGHSA-N
XLogP3.27
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
N-[(4-chloro-2-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171035196
N-[(2-fluoro-4-methylphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 174212459
N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4017599
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135624522
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 135519253
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[(Z)-(2,6-dichloro-4-pyridinyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6034697
N-[(2-bromo-4-fluorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 171034814
N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 1283271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide (CID 6898223) is 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide is Cc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is DAKYSIUFYBFBFW-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-11-3-4-13(12(2)9-11)10-17-18-21(19,20)15-7-5-14(16)6-8-15/h3-10,18H,1-2H3/b17-10+.
What are the key properties of 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide?
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6898223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).