N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide

C24H19ClN4O5S — CID 135685159

IUPACN-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESC/C(=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccc2ccccc2c1O
InChIInChI=1S/C24H19ClN4O5S/c1-15(18-12-10-16-6-2-3-7-19(16)24(18)30)26-27-22-13-11-17(29(31)32)14-23(22)35(33,34)28-21-9-5-4-8-20(21)25/h2-14,27-28,30H,1H3/b26-15+
InChIKeyXLSBFOGTCSMNBN-CVKSISIWSA-N
MW510.96 g/mol
LogP5.74
Rot. Bonds7

About N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide

N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide (PubChem CID 135685159) has the molecular formula C24H19ClN4O5S and a molecular weight of 510.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
PubChem CID135685159
Molecular FormulaC24H19ClN4O5S
Molecular Weight510.96 g/mol
Exact Mass510.08
IUPAC NameN-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
SMILESC/C(=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccc2ccccc2c1O
InChIInChI=1S/C24H19ClN4O5S/c1-15(18-12-10-16-6-2-3-7-19(16)24(18)30)26-27-22-13-11-17(29(31)32)14-23(22)35(33,34)28-21-9-5-4-8-20(21)25/h2-14,27-28,30H,1H3/b26-15+
InChIKeyXLSBFOGTCSMNBN-CVKSISIWSA-N
XLogP5.74
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.96
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide (CID 135685159) is N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide is C/C(=N\Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl)c1ccc2ccccc2c1O.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
The InChIKey is XLSBFOGTCSMNBN-CVKSISIWSA-N. The full InChI is InChI=1S/C24H19ClN4O5S/c1-15(18-12-10-16-6-2-3-7-19(16)24(18)30)26-27-22-13-11-17(29(31)32)14-23(22)35(33,34)28-21-9-5-4-8-20(21)25/h2-14,27-28,30H,1H3/b26-15+.
What are the key properties of N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide?
N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide has a molecular weight of 510.96 g/mol, XLogP of 5.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(2E)-2-[1-(1-hydroxynaphthalen-2-yl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 135685159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).