4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide

C24H32N4O4S — CID 5025810

IUPAC4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
SMILESCCCCCC(C=NNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])=Cc1ccccc1
InChIInChI=1S/C24H32N4O4S/c1-4-7-9-14-21(17-20-12-10-8-11-13-20)19-25-26-23-16-15-22(18-24(23)28(29)30)33(31,32)27(5-2)6-3/h8,10-13,15-19,26H,4-7,9,14H2,1-3H3
InChIKeyALJPPTNHTLCZPK-UHFFFAOYSA-N
MW472.61 g/mol
LogP5.69
Rot. Bonds13

About 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide

4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide (PubChem CID 5025810) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
PubChem CID5025810
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
SMILESCCCCCC(C=NNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])=Cc1ccccc1
InChIInChI=1S/C24H32N4O4S/c1-4-7-9-14-21(17-20-12-10-8-11-13-20)19-25-26-23-16-15-22(18-24(23)28(29)30)33(31,32)27(5-2)6-3/h8,10-13,15-19,26H,4-7,9,14H2,1-3H3
InChIKeyALJPPTNHTLCZPK-UHFFFAOYSA-N
XLogP5.69
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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,N-diethyl-4-[(2Z)-2-[(E)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6141921
N-(2-benzylideneheptylideneamino)-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 5134326
N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 5238096
4-[[[4-(diethylsulfamoyl)-2-nitrophenyl]hydrazinylidene]methyl]benzoic acid
CID 4223142
N-(2-benzylideneheptylideneamino)-2-morpholin-4-ylsulfonyl-4-nitroaniline
CID 5125969
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
N,N-diethyl-3-nitro-4-[2-(pyridin-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 4022283
N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide
CID 5215796
N,N-diethyl-4-[(2E)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 135599024
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide?
The IUPAC name of 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide (CID 5025810) is 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide is CCCCCC(C=NNc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])=Cc1ccccc1.
What is the InChIKey of 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide?
The InChIKey is ALJPPTNHTLCZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-4-7-9-14-21(17-20-12-10-8-11-13-20)19-25-26-23-16-15-22(18-24(23)28(29)30)33(31,32)27(5-2)6-3/h8,10-13,15-19,26H,4-7,9,14H2,1-3H3.
What are the key properties of 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide?
4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide has a molecular weight of 472.61 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-benzylideneheptylidene)hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide is sourced from PubChem (CID 5025810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).