N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide

C14H13ClN2O2S — CID 5407178

IUPACN-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3/b16-11-
InChIKeyMGWUGKMPOOYTSN-WJDWOHSUSA-N
MW308.79 g/mol
LogP3.04
Rot. Bonds4

About N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide (PubChem CID 5407178) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide
PubChem CID5407178
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide
SMILESC/C(=N/NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3/b16-11-
InChIKeyMGWUGKMPOOYTSN-WJDWOHSUSA-N
XLogP3.04
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 ≤ 53.04
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-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide (CID 5407178) is N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide is C/C(=N/NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide?
The InChIKey is MGWUGKMPOOYTSN-WJDWOHSUSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-11(12-7-9-13(15)10-8-12)16-17-20(18,19)14-5-3-2-4-6-14/h2-10,17H,1H3/b16-11-.
What are the key properties of N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide?
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-chlorophenyl)ethylideneamino]benzenesulfonamide is sourced from PubChem (CID 5407178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).