N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide

C14H13ClN2O2S — CID 6861424

IUPACN-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-11-2-8-14(9-3-11)20(18,19)17-16-10-12-4-6-13(15)7-5-12/h2-10,17H,1H3/b16-10+
InChIKeyHAYVMYJAVSRNGS-MHWRWJLKSA-N
MW308.79 g/mol
LogP2.96
Rot. Bonds4

About N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide

N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 6861424) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
PubChem CID6861424
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-11-2-8-14(9-3-11)20(18,19)17-16-10-12-4-6-13(15)7-5-12/h2-10,17H,1H3/b16-10+
InChIKeyHAYVMYJAVSRNGS-MHWRWJLKSA-N
XLogP2.96
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 52.96
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide (CID 6861424) is N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is HAYVMYJAVSRNGS-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-11-2-8-14(9-3-11)20(18,19)17-16-10-12-4-6-13(15)7-5-12/h2-10,17H,1H3/b16-10+.
What are the key properties of N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide?
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 2.96, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 6861424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).