N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide

C23H24N4O4S — CID 5238096

IUPACN,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H24N4O4S/c1-3-26(4-2)32(30,31)21-14-15-22(23(16-21)27(28)29)25-24-17-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-17,25H,3-4H2,1-2H3
InChIKeyGQOIGGYYRUCFKB-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.74
Rot. Bonds9

About N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide

N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide (PubChem CID 5238096) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide
PubChem CID5238096
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C23H24N4O4S/c1-3-26(4-2)32(30,31)21-14-15-22(23(16-21)27(28)29)25-24-17-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-17,25H,3-4H2,1-2H3
InChIKeyGQOIGGYYRUCFKB-UHFFFAOYSA-N
XLogP4.74
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

4-[[[4-(diethylsulfamoyl)-2-nitrophenyl]hydrazinylidene]methyl]benzoic acid
CID 4223142
N,N-diethyl-4-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6160791
N,N-diethyl-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6092153
4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 4587772
N,N-diethyl-3-nitro-4-[2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 4022283
N,N-diethyl-4-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6141921
N,N-diethyl-4-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135615876
N,N-diethyl-4-[(2Z)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6150101
N,N-diethyl-4-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135599024
N,N-diethyl-4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4059876
N,N-diethyl-3-nitro-4-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 6076366
4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 5025810

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide (CID 5238096) is N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NN=Cc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
The InChIKey is GQOIGGYYRUCFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-3-26(4-2)32(30,31)21-14-15-22(23(16-21)27(28)29)25-24-17-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-17,25H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide?
N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 5238096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).