N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide

C23H22N4O4S — CID 5215796

IUPACN,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C23H22N4O4S/c1-3-26(4-2)32(30,31)16-13-14-21(22(15-16)27(28)29)24-25-23-19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-15,24H,3-4H2,1-2H3
InChIKeyNKKJDVKIHPSGDO-UHFFFAOYSA-N
MW450.52 g/mol
LogP4.47
Rot. Bonds7

About N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide

N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide (PubChem CID 5215796) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide
PubChem CID5215796
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NN=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1
InChIInChI=1S/C23H22N4O4S/c1-3-26(4-2)32(30,31)16-13-14-21(22(15-16)27(28)29)24-25-23-19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-15,24H,3-4H2,1-2H3
InChIKeyNKKJDVKIHPSGDO-UHFFFAOYSA-N
XLogP4.47
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 54.47
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

N,N-diethyl-4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6092153
N,N-diethyl-3-nitro-4-[2-[(4-phenylphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 5238096
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-[(2Z)-2-[(3-fluorophenyl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 6160791
4-(cyclopropylamino)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 9281730
N,N-diethyl-4-[2-[1-(4-hydroxyphenyl)propylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 3634544
4-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide
CID 6088482
N,N-diethyl-3-nitro-4-(prop-2-enylamino)benzenesulfonamide
CID 9281040
N,N-diethyl-4-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
CID 4059876
4-(cyclopent-3-en-1-ylamino)-N,N-diethyl-3-nitrobenzenesulfonamide
CID 133362233
2,4-dinitro-N-[(10-oxothioxanthen-9-ylidene)amino]aniline
CID 10982424

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide (CID 5215796) is N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NN=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1.
What is the InChIKey of N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide?
The InChIKey is NKKJDVKIHPSGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-3-26(4-2)32(30,31)16-13-14-21(22(15-16)27(28)29)24-25-23-19-11-7-5-9-17(19)18-10-6-8-12-20(18)23/h5-15,24H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide?
N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide has a molecular weight of 450.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-fluoren-9-ylidenehydrazinyl)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 5215796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).