N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide

C24H19ClN4O4S — CID 5144698

IUPACN-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESCC(=NNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C24H19ClN4O4S/c1-16(18-7-6-17-4-2-3-5-19(17)14-18)26-27-23-13-12-22(15-24(23)29(30)31)34(32,33)28-21-10-8-20(25)9-11-21/h2-15,27-28H,1H3
InChIKeyLNBFQNBURSQSQD-UHFFFAOYSA-N
MW494.96 g/mol
LogP6.04
Rot. Bonds7

About N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide

N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide (PubChem CID 5144698) has the molecular formula C24H19ClN4O4S and a molecular weight of 494.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
PubChem CID5144698
Molecular FormulaC24H19ClN4O4S
Molecular Weight494.96 g/mol
Exact Mass494.08
IUPAC NameN-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide
SMILESCC(=NNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc2ccccc2c1
InChIInChI=1S/C24H19ClN4O4S/c1-16(18-7-6-17-4-2-3-5-19(17)14-18)26-27-23-13-12-22(15-24(23)29(30)31)34(32,33)28-21-10-8-20(25)9-11-21/h2-15,27-28H,1H3
InChIKeyLNBFQNBURSQSQD-UHFFFAOYSA-N
XLogP6.04
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.96
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', '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'}

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Related Compounds

N-(4-methoxyphenyl)-3-nitro-4-[2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 3647565
N-(3-chlorophenyl)-4-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3940614
4-[2-[1-(4-cyanophenyl)ethylidene]hydrazinyl]-3-nitro-N-phenylbenzenesulfonamide
CID 3543009
4-[(2E)-2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135613704
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2,4-dinitroaniline
CID 6138465
2-[4-[(Z)-N-[4-[(3-chlorophenyl)sulfamoyl]-2-nitroanilino]-C-methylcarbonimidoyl]phenoxy]-N,N-diethylacetamide
CID 6216499
N-(2-methoxyphenyl)-3-nitro-4-[2-[1-(3,4,5-trimethoxyphenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 4164524
N-(4-chlorophenyl)-2-[(2Z)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 135874286
N-(2-methoxyphenyl)-3-nitro-4-[(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl]benzenesulfonamide
CID 97058149
3-nitro-4-[(2Z)-2-(1-phenylethylidene)hydrazinyl]benzenesulfonamide
CID 6116556
N-(4-chlorophenyl)-3-nitro-4-[2-[(2,4,6-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 5201000
4-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 6088482

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide (CID 5144698) is N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide is CC(=NNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc2ccccc2c1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
The InChIKey is LNBFQNBURSQSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4S/c1-16(18-7-6-17-4-2-3-5-19(17)14-18)26-27-23-13-12-22(15-24(23)29(30)31)34(32,33)28-21-10-8-20(25)9-11-21/h2-15,27-28H,1H3.
What are the key properties of N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide?
N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide has a molecular weight of 494.96 g/mol, XLogP of 6.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 5144698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).