N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

C15H15ClN2O2S — CID 6906878

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

About N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 6906878) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID6906878
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O2S/c1-11-3-4-12(2)15(9-11)21(19,20)18-17-10-13-5-7-14(16)8-6-13/h3-10,18H,1-2H3/b17-10+
InChIKeyLHBLNVANGMHCMH-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'}

Analyze N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 2094275
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892737
N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4017599
2,5-dimethyl-N-[(3-methylphenyl)methylideneamino]benzenesulfonamide
CID 2432038
2,5-dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]benzenesulfonamide
CID 6892752
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
5-tert-butyl-2-methyl-N-[(E)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 110515953
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 136807805
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135624522
N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 135702068
N-[(E)-(3-methoxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6892732
2,5-dimethyl-N-[(3-phenoxyphenyl)methylideneamino]benzenesulfonamide
CID 2362958

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide (CID 6906878) is N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is LHBLNVANGMHCMH-LICLKQGHSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-11-3-4-12(2)15(9-11)21(19,20)18-17-10-13-5-7-14(16)8-6-13/h3-10,18H,1-2H3/b17-10+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide 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 N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 6906878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).